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Chemical ID: 7259916
Chemical ID:
7259916
Name [?]:
2,4-difluoro-N-(3-sulfamoylphenyl)-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N)NS(=O)(=O)c2ccc(cc2F)F
InChi [?]:
InChI=1/C12H10F2N2O4S2/c13-8-4-5-12(11(14)6-8)22(19,20)16-9-2-1-3-10(7-9)21(15,17)18/h1-7,16H,(H2,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,16,19,4,18,3,5,20,15,22,21,10,11,8,9,13,14,7,12/E:(17,18)(19,20)/CRV:21.6,22.6/rA:22nCCCCCCSOONNSOOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s3;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10F2N2O4S2 |
All Atoms: | 32 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.81552 |
Area: | 466.133 |
Solvation: | -4.83781 |
Coulombic: | -33.1414 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.348 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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