2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide

C13H7ClF5NO2S — CID 35955999

IUPAC2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H7ClF5NO2S/c14-11-2-1-7(13(17,18)19)3-12(11)23(21,22)20-10-5-8(15)4-9(16)6-10/h1-6,20H
InChIKeyFTZDNTWNGNTDMQ-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 35955999) has the molecular formula C13H7ClF5NO2S and a molecular weight of 371.71 g/mol. Its IUPAC name is 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID35955999
Molecular FormulaC13H7ClF5NO2S
Molecular Weight371.71 g/mol
Exact Mass370.98
IUPAC Name2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H7ClF5NO2S/c14-11-2-1-7(13(17,18)19)3-12(11)23(21,22)20-10-5-8(15)4-9(16)6-10/h1-6,20H
InChIKeyFTZDNTWNGNTDMQ-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 26969725
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24602856
2-fluoro-N-[3-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3867857
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24591375
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
sodium 2-chloro-5-(trifluoromethyl)benzenesulfonate
CID 50998749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide (CID 35955999) is 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FTZDNTWNGNTDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5NO2S/c14-11-2-1-7(13(17,18)19)3-12(11)23(21,22)20-10-5-8(15)4-9(16)6-10/h1-6,20H.
What are the key properties of 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 371.71 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 35955999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).