3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide

C13H8ClF4NO3S — CID 60531938

IUPAC3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClF4NO3S/c14-10-5-2-6-11(12(10)15)23(20,21)19-8-3-1-4-9(7-8)22-13(16,17)18/h1-7,19H
InChIKeyYFJIMWALAGDNHR-UHFFFAOYSA-N
MW369.72 g/mol
LogP4.18
Rot. Bonds4

About 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide

3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 60531938) has the molecular formula C13H8ClF4NO3S and a molecular weight of 369.72 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID60531938
Molecular FormulaC13H8ClF4NO3S
Molecular Weight369.72 g/mol
Exact Mass368.98
IUPAC Name3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClF4NO3S/c14-10-5-2-6-11(12(10)15)23(20,21)19-8-3-1-4-9(7-8)22-13(16,17)18/h1-7,19H
InChIKeyYFJIMWALAGDNHR-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.72
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
3-chloro-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 60532237
5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 60808101
2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 3861332
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 63000026
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
2-ethoxy-4-(methylamino)-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 170347385
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 60531938) is 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is YFJIMWALAGDNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO3S/c14-10-5-2-6-11(12(10)15)23(20,21)19-8-3-1-4-9(7-8)22-13(16,17)18/h1-7,19H.
What are the key properties of 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 369.72 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 60531938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).