2-chloro-3-(trifluoromethyl)benzenesulfonamide

C7H5ClF3NO2S — CID 140584359

IUPAC2-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO2S/c8-6-4(7(9,10)11)2-1-3-5(6)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyZNJUQPFVMAJEEV-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.01
Rot. Bonds1

About 2-chloro-3-(trifluoromethyl)benzenesulfonamide

2-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 140584359) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is 2-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID140584359
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Name2-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO2S/c8-6-4(7(9,10)11)2-1-3-5(6)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyZNJUQPFVMAJEEV-UHFFFAOYSA-N
XLogP2.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-sulfanylbenzenesulfonamide
CID 168966087
2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 118996048
2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67327886
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
2,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 18981651
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 131462426
2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175046961
2-(2-chloro-3-sulfamoylphenyl)acetamide
CID 169224386
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 140584359) is 2-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZNJUQPFVMAJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c8-6-4(7(9,10)11)2-1-3-5(6)15(12,13)14/h1-3H,(H2,12,13,14).
What are the key properties of 2-chloro-3-(trifluoromethyl)benzenesulfonamide?
2-chloro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 259.64 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 140584359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).