2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide

C9H13ClN2O3S — CID 61052282

IUPAC2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)8-4-3-5-11-9(8)10/h3-5,7,12-13H,2,6H2,1H3
InChIKeyJKJHKBKQSMQINH-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.78
Rot. Bonds5

About 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide

2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide (PubChem CID 61052282) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
PubChem CID61052282
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)8-4-3-5-11-9(8)10/h3-5,7,12-13H,2,6H2,1H3
InChIKeyJKJHKBKQSMQINH-UHFFFAOYSA-N
XLogP0.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
CID 105061056
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159
(2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61142213
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide (CID 61052282) is 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide is CCC(CO)NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is JKJHKBKQSMQINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)8-4-3-5-11-9(8)10/h3-5,7,12-13H,2,6H2,1H3.
What are the key properties of 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61052282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).