3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

C13H8Cl2F3NO3S — CID 3460603

IUPAC3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2F3NO3S/c14-9-6-5-8(7-10(9)15)23(20,21)19-11-3-1-2-4-12(11)22-13(16,17)18/h1-7,19H
InChIKeyGWYXOHYYTKRDAE-UHFFFAOYSA-N
MW386.18 g/mol
LogP4.69
Rot. Bonds4

About 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 3460603) has the molecular formula C13H8Cl2F3NO3S and a molecular weight of 386.18 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID3460603
Molecular FormulaC13H8Cl2F3NO3S
Molecular Weight386.18 g/mol
Exact Mass384.96
IUPAC Name3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2F3NO3S/c14-9-6-5-8(7-10(9)15)23(20,21)19-11-3-1-2-4-12(11)22-13(16,17)18/h1-7,19H
InChIKeyGWYXOHYYTKRDAE-UHFFFAOYSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
CID 3788061
3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 55559647
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 3460603) is 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is GWYXOHYYTKRDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO3S/c14-9-6-5-8(7-10(9)15)23(20,21)19-11-3-1-2-4-12(11)22-13(16,17)18/h1-7,19H.
What are the key properties of 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 386.18 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 3460603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).