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Chemical ID: 7517931

Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)NC(C)c3ccccc3

Chemical ID:

7517931

Name [?]:

4-chloro-3-(m-tolylsulfamoyl)-N-(1-phenylethyl)benzamide

SMILES [?]:

Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)NC(C)c3ccccc3

InChi [?]:

InChI=1/C22H21ClN2O3S/c1-15-7-6-10-19(13-15)25-29(27,28)21-14-18(11-12-20(21)23)22(26)24-16(2)17-8-4-3-5-9-17/h3-14,16,25H,1-2H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,23,27,26,28,4,3,25,29,5,15,16,7,13,2,22,24,14,6,17,12,19,18,21,8,20,10,11,9/E:(4,5)(8,9)(27,28)/CRV:29.6/rA:29cCCCCCCCNSOOCCCCCCClCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁ClN₂O₃S
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	12.3653
Area:	634.382
Solvation:	-3.49428
Coulombic:	-35.9094

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.41
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