2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide

C9H13ClN2O3S — CID 107856823

IUPAC2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)8-3-4-11-9(10)5-8/h3-5,7,12-13H,2,6H2,1H3/t7-/m0/s1
InChIKeyRYDSJDHHNNDOKL-ZETCQYMHSA-N
MW264.73 g/mol
LogP0.78
Rot. Bonds5

About 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide

2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide (PubChem CID 107856823) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
PubChem CID107856823
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)8-3-4-11-9(10)5-8/h3-5,7,12-13H,2,6H2,1H3/t7-/m0/s1
InChIKeyRYDSJDHHNNDOKL-ZETCQYMHSA-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'}

Analyze 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501581
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-3-nitrobenzenesulfonamide
CID 113498887
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide (CID 107856823) is 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide is CC[C@@H](CO)NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide?
The InChIKey is RYDSJDHHNNDOKL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)8-3-4-11-9(10)5-8/h3-5,7,12-13H,2,6H2,1H3/t7-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide?
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-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-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide is sourced from PubChem (CID 107856823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).