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Chemical ID: 7520868

CN(c1ccc(cc1)C(=O)NCc2ccccc2OC)S(=O)(=O)c3ccc(cc3)Cl

Chemical ID:

7520868

Name [?]:

4-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[(2-methoxyphenyl)methyl]benzamide

SMILES [?]:

CN(c1ccc(cc1)C(=O)NCc2ccccc2OC)S(=O)(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H21ClN2O4S/c1-25(30(27,28)20-13-9-18(23)10-14-20)19-11-7-16(8-12-19)22(26)24-15-17-5-3-4-6-21(17)29-2/h3-14H,15H2,1-2H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,20,15,16,14,17,5,7,26,28,4,8,25,29,12,6,13,27,3,24,18,9,30,11,2,10,22,23,19,21/E:(7,8)(9,10)(11,12)(13,14)(27,28)/CRV:30.6/rA:30cCNCCCCCCCONCCCCCCCOCSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s2;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁ClN₂O₄S
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	12.0499
Area:	666.909
Solvation:	-4.62286
Coulombic:	-38.3992

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.93
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