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Chemical ID: 7293833
Chemical ID:
7293833
Name [?]:
N-(3,4-difluorophenyl)-4-isopropyl-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)F)F
InChi [?]:
InChI=1/C15H15F2NO2S/c1-10(2)11-3-6-13(7-4-11)21(19,20)18-12-5-8-14(16)15(17)9-12/h3-10,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,9,15,6,8,16,19,2,4,14,7,17,18,21,20,13,11,12,10/E:(1,2)(3,4)(6,7)(19,20)/CRV:21.6/rA:21nCCCCCCCCCSOONCCCCCCFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15F2NO2S |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17208 |
Area: | 468.341 |
Solvation: | -3.53645 |
Coulombic: | -20.5632 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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