Chemical ID: 6149899

COc1ccccc1NS(=O)(=O)c2ccccc2C(F)(F)F
Chemical ID:
6149899
Name [?]:
N-(2-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
COc1ccccc1NS(=O)(=O)c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C14H12F3NO3S/c1-21-12-8-4-3-7-11(12)18-22(19,20)13-9-5-2-6-10(13)14(15,16)17/h2-9,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,6,5,15,17,7,4,14,18,8,3,13,19,20,21,22,9,11,12,2,10/E:(15,16,17)(19,20)/CRV:22.6/rA:22nCOCCCCCCNSOOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12F3NO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.88034
Area:442.998
Solvation:-4.19461
Coulombic:-37.9681
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.311
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.56
LogP (Chemaxon):3.24

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Descriptor Annotations

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