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Chemical ID: 7312077
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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