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Chemical ID: 7509879
Chemical ID:
7509879
Name [?]:
4-chloro-N-[3-(methyl-methylsulfonyl-amino)phenyl]-3-(phenylsulfamoyl)benzamide
SMILES [?]:
CN(c1cccc(c1)NC(=O)c2ccc(c(c2)S(=O)(=O)Nc3ccccc3)Cl)S(=O)(=O)C
InChi [?]:
InChI=1/C21H20ClN3O5S2/c1-25(31(2,27)28)18-10-6-9-17(14-18)23-21(26)15-11-12-19(22)20(13-15)32(29,30)24-16-7-4-3-5-8-16/h3-14,24H,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,32,25,24,26,5,23,27,6,4,13,14,17,8,12,22,7,3,15,16,10,28,9,21,2,11,30,31,19,20,29,18/E:(4,5)(7,8)(27,28)(29,30)/CRV:31.6,32.6/rA:32cCNCCCCCCNCOCCCCCCSOONCCCCCCClSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s22;d23;s24;d25;d22s26;s15;s2;d29;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClN3O5S2 |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5151 |
Area: | 674.516 |
Solvation: | -5.34783 |
Coulombic: | -37.8643 |
Bond Count [?]
All: | 34 |
Single: | 20 |
Double: | 14 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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