5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C12H9ClF3NO2S2 — CID 24580783

IUPAC5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NO2S2/c1-7-2-3-8(6-9(7)12(14,15)16)17-21(18,19)11-5-4-10(13)20-11/h2-6,17H,1H3
InChIKeyJGCDERCIEZEWGG-UHFFFAOYSA-N
MW355.79 g/mol
LogP4.53
Rot. Bonds3

About 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 24580783) has the molecular formula C12H9ClF3NO2S2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID24580783
Molecular FormulaC12H9ClF3NO2S2
Molecular Weight355.79 g/mol
Exact Mass354.97
IUPAC Name5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NO2S2/c1-7-2-3-8(6-9(7)12(14,15)16)17-21(18,19)11-5-4-10(13)20-11/h2-6,17H,1H3
InChIKeyJGCDERCIEZEWGG-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51121366
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 1006648
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
CID 166188989
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]thiophene-2-sulfonamide
CID 60814924
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 60705439
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
N-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 162568160
N-(3,4-dimethylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 59631957
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 24580783) is 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is JGCDERCIEZEWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO2S2/c1-7-2-3-8(6-9(7)12(14,15)16)17-21(18,19)11-5-4-10(13)20-11/h2-6,17H,1H3.
What are the key properties of 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 355.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24580783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).