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Chemical ID: 7317377
Chemical ID:
7317377
Name [?]:
4-(3-bromophenyl)sulfonylaminobenzamide
SMILES [?]:
c1cc(cc(c1)Br)S(=O)(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C13H11BrN2O3S/c14-10-2-1-3-12(8-10)20(18,19)16-11-6-4-9(5-7-11)13(15)17/h1-8,16H,(H2,15,17)
InChi Info:
AuxInfo=1/1/N:1,6,2,14,16,13,17,4,15,5,12,3,18,7,20,11,19,9,10,8/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20nCCCCCCBrSOONCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11BrN2O3S |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93705 |
Area: | 472.401 |
Solvation: | -2.87297 |
Coulombic: | -38.6061 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.208 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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