6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide

C12H19ClN2O3S — CID 71844517

IUPAC6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)N(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN2O3S/c1-9(2)15(8-12(3,4)16)19(17,18)10-5-6-11(13)14-7-10/h5-7,9,16H,8H2,1-4H3
InChIKeyREUBOLJDZIOAOG-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.90
Rot. Bonds5

About 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide

6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 71844517) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID71844517
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)N(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN2O3S/c1-9(2)15(8-12(3,4)16)19(17,18)10-5-6-11(13)14-7-10/h5-7,9,16H,8H2,1-4H3
InChIKeyREUBOLJDZIOAOG-UHFFFAOYSA-N
XLogP1.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 43429215
ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
CID 61047092
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 90954115
6-chloro-N-(2-deuteriopropan-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 87129670
6-chloropyridine-3-sulfonic acid
CID 2762861
6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54983763
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
5-[propan-2-yl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614117
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
CID 115774315
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
CID 113347931
6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide (CID 71844517) is 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide is CC(C)N(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is REUBOLJDZIOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-9(2)15(8-12(3,4)16)19(17,18)10-5-6-11(13)14-7-10/h5-7,9,16H,8H2,1-4H3.
What are the key properties of 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide?
6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 71844517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).