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Chemical ID: 7515504

CCN1CCN(CC1)C(=O)CN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)C

Chemical ID:

7515504

Name [?]:

N-(4-chlorophenyl)-N-[(4-ethylpiperazin-1-yl)carbonylmethyl]-4-methyl-benzenesulfonamide

SMILES [?]:

CCN1CCN(CC1)C(=O)CN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)C

InChi [?]:

InChI=1/C21H26ClN3O3S/c1-3-23-12-14-24(15-13-23)21(26)16-25(19-8-6-18(22)7-9-19)29(27,28)20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,2,25,27,15,17,14,18,24,28,4,8,5,7,11,26,16,13,23,9,19,3,6,12,10,21,22,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/CRV:29.6/rA:29cCCNCCNCCCOCNCCCCCCClSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s12;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆ClN₃O₃S
All Atoms:	55
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	12.2221
Area:	631.894
Solvation:	-3.57525
Coulombic:	-29.9989

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.72
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value