Chemical ID: 5426750

c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Cl)OC(F)(F)F
Chemical ID:
5426750
Name [?]:
4-chloro-N-[4-(trifluoromethoxy)phenyl]-benzenesulfonamide
SMILES [?]:
c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Cl)OC(F)(F)F
InChi [?]:
InChI=1/C13H9ClF3NO3S/c14-9-1-7-12(8-2-9)22(19,20)18-10-3-5-11(6-4-10)21-13(15,16)17/h1-8,18H
InChi Info:
AuxInfo=1/0/N:13,15,1,5,2,4,12,16,14,6,3,11,19,17,20,21,22,7,9,10,18,8/E:(1,2)(3,4)(5,6)(7,8)(15,16,17)(19,20)/CRV:22.6/rA:22nCCCCCCNSOOCCCCCCClOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s3;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClF3NO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.74416
Area:480.236
Solvation:-2.26174
Coulombic:-45.4442
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.729
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.5
LogP (Chemaxon):3.78

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Descriptor Annotations

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