5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide

C11H7ClF3NO4S3 — CID 166200870

IUPAC5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClF3NO4S3/c12-9-5-6-10(21-9)23(19,20)16-7-1-3-8(4-2-7)22(17,18)11(13,14)15/h1-6,16H
InChIKeyOXOPRXXKJVIMMU-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 166200870) has the molecular formula C11H7ClF3NO4S3 and a molecular weight of 405.83 g/mol. Its IUPAC name is 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
PubChem CID166200870
Molecular FormulaC11H7ClF3NO4S3
Molecular Weight405.83 g/mol
Exact Mass404.92
IUPAC Name5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClF3NO4S3/c12-9-5-6-10(21-9)23(19,20)16-7-1-3-8(4-2-7)22(17,18)11(13,14)15/h1-6,16H
InChIKeyOXOPRXXKJVIMMU-UHFFFAOYSA-N
XLogP3.50
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
CID 166188989
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289
2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene
CID 175435734
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 19683779
N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide (CID 166200870) is 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is OXOPRXXKJVIMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO4S3/c12-9-5-6-10(21-9)23(19,20)16-7-1-3-8(4-2-7)22(17,18)11(13,14)15/h1-6,16H.
What are the key properties of 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 405.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166200870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).