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

C17H15ClN2O3S2 — CID 112987490

IUPAC5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1
InChIInChI=1S/C17H15ClN2O3S2/c1-23-15-4-2-3-14(11-15)19-12-5-7-13(8-6-12)20-25(21,22)17-10-9-16(18)24-17/h2-11,19-20H,1H3
InChIKeyKGBYNEHZZQEEHF-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.95
Rot. Bonds6

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

5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide (PubChem CID 112987490) has the molecular formula C17H15ClN2O3S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
PubChem CID112987490
Molecular FormulaC17H15ClN2O3S2
Molecular Weight394.91 g/mol
Exact Mass394.02
IUPAC Name5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1
InChIInChI=1S/C17H15ClN2O3S2/c1-23-15-4-2-3-14(11-15)19-12-5-7-13(8-6-12)20-25(21,22)17-10-9-16(18)24-17/h2-11,19-20H,1H3
InChIKeyKGBYNEHZZQEEHF-UHFFFAOYSA-N
XLogP4.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
CID 112990005
5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
CID 8519502
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
[(2R)-1-oxo-1-(3-phenoxyanilino)propan-2-yl] 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 2100925
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide (CID 112987490) is 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide is COc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1.
What is the InChIKey of 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide?
The InChIKey is KGBYNEHZZQEEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S2/c1-23-15-4-2-3-14(11-15)19-12-5-7-13(8-6-12)20-25(21,22)17-10-9-16(18)24-17/h2-11,19-20H,1H3.
What are the key properties of 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide has a molecular weight of 394.91 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112987490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).