2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide

C13H15ClN2O2S2 — CID 61452159

IUPAC2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
SMILESCC(C)N(Cc1cccs1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H15ClN2O2S2/c1-10(2)16(9-11-4-3-7-19-11)20(17,18)12-5-6-15-13(14)8-12/h3-8,10H,9H2,1-2H3
InChIKeyPFLLUPVGJDXEJY-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide (PubChem CID 61452159) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
PubChem CID61452159
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
SMILESCC(C)N(Cc1cccs1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H15ClN2O2S2/c1-10(2)16(9-11-4-3-7-19-11)20(17,18)12-5-6-15-13(14)8-12/h3-8,10H,9H2,1-2H3
InChIKeyPFLLUPVGJDXEJY-UHFFFAOYSA-N
XLogP3.40
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450031
N-propan-2-yl-N-(thiophen-2-ylmethyl)propane-2-sulfonamide
CID 61395279
5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 166390232
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450114
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61051895
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 61455518
2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
CID 61046101
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 79255691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide (CID 61452159) is 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide is CC(C)N(Cc1cccs1)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is PFLLUPVGJDXEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-10(2)16(9-11-4-3-7-19-11)20(17,18)12-5-6-15-13(14)8-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide?
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61452159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).