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Chemical ID: 7517931
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
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Experimental Annotations
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Descriptor Annotations
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