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Chemical ID: 7517990

Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3cccc(c3C)C

Chemical ID:

7517990

Name [?]:

4-chloro-N-(2,3-dimethylphenyl)-3-(m-tolylsulfamoyl)benzamide

SMILES [?]:

Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3cccc(c3C)C

InChi [?]:

InChI=1/C22H21ClN2O3S/c1-14-6-4-8-18(12-14)25-29(27,28)21-13-17(10-11-19(21)23)22(26)24-20-9-5-7-15(2)16(20)3/h4-13,25H,1-3H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,29,28,4,24,3,25,5,23,15,16,7,13,2,26,27,14,6,17,22,12,19,18,21,8,20,10,11,9/E:(27,28)/CRV:29.6/rA:29nCCCCCCCNSOOCCCCCCClCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.1674
Area:	625.584
Solvation:	-3.47214
Coulombic:	-34.2206

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	6
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