4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide

C9H13ClN2O3S — CID 105061056

IUPAC4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)9-5-11-4-3-8(9)10/h3-5,7,12-13H,2,6H2,1H3/t7-/m0/s1
InChIKeyYCAFSTKTPVQNNV-ZETCQYMHSA-N
MW264.73 g/mol
LogP0.78
Rot. Bonds5

About 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide

4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide (PubChem CID 105061056) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
PubChem CID105061056
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)9-5-11-4-3-8(9)10/h3-5,7,12-13H,2,6H2,1H3/t7-/m0/s1
InChIKeyYCAFSTKTPVQNNV-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

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Related Compounds

2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 97310075
4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide
CID 64629810
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216345
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide
CID 84591439
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-nitrobenzenesulfonamide
CID 104982011
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide (CID 105061056) is 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide is CC[C@@H](CO)NS(=O)(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide?
The InChIKey is YCAFSTKTPVQNNV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-2-7(6-13)12-16(14,15)9-5-11-4-3-8(9)10/h3-5,7,12-13H,2,6H2,1H3/t7-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide?
4-chloro-N-[(2S)-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 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 105061056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).