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Chemical ID: 6149899
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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