4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide

C8H7ClF3NO2S — CID 4557473

IUPAC4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO2S/c1-13-16(14,15)5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyBBPCDXMGCAVBQB-UHFFFAOYSA-N
MW273.66 g/mol
LogP2.27
Rot. Bonds2

About 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 4557473) has the molecular formula C8H7ClF3NO2S and a molecular weight of 273.66 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID4557473
Molecular FormulaC8H7ClF3NO2S
Molecular Weight273.66 g/mol
Exact Mass272.98
IUPAC Name4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO2S/c1-13-16(14,15)5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyBBPCDXMGCAVBQB-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 4557473) is 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BBPCDXMGCAVBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2S/c1-13-16(14,15)5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3.
What are the key properties of 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 273.66 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4557473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).