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Chemical ID: 4195736
Chemical ID:
4195736
Name [?]:
4-(4-fluorophenyl)sulfonylaminobenzenesulfonamide
SMILES [?]:
c1cc(ccc1NS(=O)(=O)c2ccc(cc2)F)S(=O)(=O)N
InChi [?]:
InChI=1/C12H11FN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
InChi Info:
AuxInfo=1/1/N:13,15,1,5,12,16,2,4,14,6,3,11,17,21,7,19,20,9,10,18,8/E:(1,2)(3,4)(5,6)(7,8)(16,17)(18,19)/CRV:20.6,21.6/rA:21nCCCCCCNSOOCCCCCCFSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s3;d18;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11FN2O4S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6447 |
Area: | 474.013 |
Solvation: | -4.20561 |
Coulombic: | -31.007 |
Bond Count [?]
All: | 22 |
Single: | 12 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.357 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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