N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide

C14H13N3O2S2 — CID 103306326

IUPACN-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C14H13N3O2S2/c1-15-12-3-2-7-16-14(12)21(18,19)17-11-4-5-13-10(9-11)6-8-20-13/h2-9,15,17H,1H3
InChIKeyJOUZPCZWGIAYCP-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.14
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide

N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103306326) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103306326
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C14H13N3O2S2/c1-15-12-3-2-7-16-14(12)21(18,19)17-11-4-5-13-10(9-11)6-8-20-13/h2-9,15,17H,1H3
InChIKeyJOUZPCZWGIAYCP-UHFFFAOYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303586
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107616509
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-(4,6-dimethylpyrimidin-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303013
3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide
CID 103305825
3-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-sulfonamide
CID 103303080
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305616
N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 65451533
3-(methylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303467
N-(2-chloro-4-fluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304303

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide (CID 103306326) is N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is JOUZPCZWGIAYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-15-12-3-2-7-16-14(12)21(18,19)17-11-4-5-13-10(9-11)6-8-20-13/h2-9,15,17H,1H3.
What are the key properties of N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide?
N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).