6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide

C8H11ClN2O3S — CID 90954115

IUPAC6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(O)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O3S/c1-8(2,12)11-15(13,14)6-3-4-7(9)10-5-6/h3-5,11-12H,1-2H3
InChIKeyKETAQKLDXLOXID-UHFFFAOYSA-N
MW250.71 g/mol
LogP0.74
Rot. Bonds3

About 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide

6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide (PubChem CID 90954115) has the molecular formula C8H11ClN2O3S and a molecular weight of 250.71 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
PubChem CID90954115
Molecular FormulaC8H11ClN2O3S
Molecular Weight250.71 g/mol
Exact Mass250.02
IUPAC Name6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(O)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O3S/c1-8(2,12)11-15(13,14)6-3-4-7(9)10-5-6/h3-5,11-12H,1-2H3
InChIKeyKETAQKLDXLOXID-UHFFFAOYSA-N
XLogP0.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
CID 113347931
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloropyridine-3-sulfonic acid
CID 2762861
6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide
CID 71844517
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65314396
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide (CID 90954115) is 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide is CC(C)(O)NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is KETAQKLDXLOXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S/c1-8(2,12)11-15(13,14)6-3-4-7(9)10-5-6/h3-5,11-12H,1-2H3.
What are the key properties of 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide?
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 250.71 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 90954115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).