Chemical ID: 7284548

CCC(C)NS(=O)(=O)c1ccccc1C(F)(F)F
Chemical ID:
7284548
Name [?]:
N-sec-butyl-2-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
CCC(C)NS(=O)(=O)c1ccccc1C(F)(F)F
InChi [?]:
InChI=1/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-7-5-4-6-9(10)11(12,13)14/h4-8,15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,12,11,13,10,3,14,9,15,16,17,18,5,7,8,6/E:(12,13,14)(16,17)/CRV:18.6/rA:18cCCCCNSOOCCCCCCCFFF/rB:s1;s2;s3;s3;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14F3NO2S
All Atoms:32
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.7677
Area:390.591
Solvation:-2.99708
Coulombic:-30.2651
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):3.03

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Descriptor Annotations

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