5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide

C17H16ClN3O2S2 — CID 113032155

IUPAC5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)cc1C
InChIInChI=1S/C17H16ClN3O2S2/c1-11-3-4-13(9-12(11)2)20-14-5-7-16(19-10-14)21-25(22,23)17-8-6-15(18)24-17/h3-10,20H,1-2H3,(H,19,21)
InChIKeyDUMFUWCVYOYHLT-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.96
Rot. Bonds5

About 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide

5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113032155) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113032155
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC Name5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)cc1C
InChIInChI=1S/C17H16ClN3O2S2/c1-11-3-4-13(9-12(11)2)20-14-5-7-16(19-10-14)21-25(22,23)17-8-6-15(18)24-17/h3-10,20H,1-2H3,(H,19,21)
InChIKeyDUMFUWCVYOYHLT-UHFFFAOYSA-N
XLogP4.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113037335
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide (CID 113032155) is 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)cc1C.
What is the InChIKey of 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is DUMFUWCVYOYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-11-3-4-13(9-12(11)2)20-14-5-7-16(19-10-14)21-25(22,23)17-8-6-15(18)24-17/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 393.92 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113032155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).