Chemical ID: 7312077

Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C(C)C)F
Chemical ID:
7312077
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-4-isopropyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C(C)C)F
InChi [?]:
InChI=1/C16H18FNO2S/c1-11(2)13-5-8-15(9-6-13)21(19,20)18-16-10-14(17)7-4-12(16)3/h4-11,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,3,14,16,4,13,17,6,18,2,15,5,12,7,21,8,10,11,9/E:(1,2)(5,6)(8,9)(19,20)/CRV:21.6/rA:21nCCCCCCCNSOOCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18FNO2S
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.48239
Area:479.017
Solvation:-2.49303
Coulombic:-17.7052
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:307.384
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.51
LogP (Chemaxon):4.41

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Descriptor Annotations

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