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Chemical ID: 7291736
Chemical ID:
7291736
Name [?]:
2,3-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)CNS(=O)(=O)c2cccc(c2Cl)Cl)F
InChi [?]:
InChI=1/C13H10Cl2FNO2S/c14-10-5-3-7-12(13(10)15)20(18,19)17-8-9-4-1-2-6-11(9)16/h1-7,17H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,14,6,15,3,13,7,5,16,4,12,17,19,18,20,8,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCCCCNSOOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl2FNO2S |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06606 |
Area: | 469.535 |
Solvation: | -2.67231 |
Coulombic: | -18.1932 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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