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Chemical ID: 7521544

c1ccc(cc1)CN2CCN(CC2)C(=O)c3ccc(c(c3)S(=O)(=O)Nc4ccccc4)Cl

Chemical ID:

7521544

Name [?]:

5-(4-benzylpiperazin-1-yl)carbonyl-2-chloro-N-phenyl-benzenesulfonamide

SMILES [?]:

c1ccc(cc1)CN2CCN(CC2)C(=O)c3ccc(c(c3)S(=O)(=O)Nc4ccccc4)Cl

InChi [?]:

InChI=1/C24H24ClN3O3S/c25-22-12-11-20(17-23(22)32(30,31)26-21-9-5-2-6-10-21)24(29)28-15-13-27(14-16-28)18-19-7-3-1-4-8-19/h1-12,17,26H,13-16,18H2

InChi Info:

AuxInfo=1/0/N:1,29,2,6,28,30,3,5,27,31,17,18,9,13,10,12,21,7,4,16,26,19,20,14,32,25,8,11,15,23,24,22/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)(30,31)/CRV:32.6/rA:32nCCCCCCCNCCNCCCOCCCCCCSOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;d22;s22;s25;s26;d27;s28;d29;d26s30;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄ClN₃O₃S
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	12.8289
Area:	669.3
Solvation:	-3.9036
Coulombic:	-36.2756

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.24
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

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value