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

C17H17N3O2S2 — CID 113032152

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)nc2)cc1C
InChIInChI=1S/C17H17N3O2S2/c1-12-5-6-14(10-13(12)2)19-15-7-8-16(18-11-15)20-24(21,22)17-4-3-9-23-17/h3-11,19H,1-2H3,(H,18,20)
InChIKeyHZIYPGKDRSJHQO-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.30
Rot. Bonds5

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

N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113032152) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113032152
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)nc2)cc1C
InChIInChI=1S/C17H17N3O2S2/c1-12-5-6-14(10-13(12)2)19-15-7-8-16(18-11-15)20-24(21,22)17-4-3-9-23-17/h3-11,19H,1-2H3,(H,18,20)
InChIKeyHZIYPGKDRSJHQO-UHFFFAOYSA-N
XLogP4.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033745
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide (CID 113032152) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)nc2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is HZIYPGKDRSJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-12-5-6-14(10-13(12)2)19-15-7-8-16(18-11-15)20-24(21,22)17-4-3-9-23-17/h3-11,19H,1-2H3,(H,18,20).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 359.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113032152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).