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

C17H15ClN2O2S2 — CID 112986155

IUPAC5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-20(14-5-3-2-4-6-14)15-9-7-13(8-10-15)19-24(21,22)17-12-11-16(18)23-17/h2-12,19H,1H3
InChIKeyXLRWACHMEUDGGH-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.97
Rot. Bonds5

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

5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide (PubChem CID 112986155) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
PubChem CID112986155
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-20(14-5-3-2-4-6-14)15-9-7-13(8-10-15)19-24(21,22)17-12-11-16(18)23-17/h2-12,19H,1H3
InChIKeyXLRWACHMEUDGGH-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
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
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987490
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide (CID 112986155) is 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide is CN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
The InChIKey is XLRWACHMEUDGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c1-20(14-5-3-2-4-6-14)15-9-7-13(8-10-15)19-24(21,22)17-12-11-16(18)23-17/h2-12,19H,1H3.
What are the key properties of 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide has a molecular weight of 378.91 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112986155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).