6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide

C8H11ClN2O4S — CID 65314396

IUPAC6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC(CO)CO)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O4S/c9-8-2-1-7(3-10-8)16(14,15)11-6(4-12)5-13/h1-3,6,11-13H,4-5H2
InChIKeyUPQAKUMRSIAOHZ-UHFFFAOYSA-N
MW266.71 g/mol
LogP-0.63
Rot. Bonds5

About 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide

6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide (PubChem CID 65314396) has the molecular formula C8H11ClN2O4S and a molecular weight of 266.71 g/mol. Its IUPAC name is 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide
PubChem CID65314396
Molecular FormulaC8H11ClN2O4S
Molecular Weight266.71 g/mol
Exact Mass266.01
IUPAC Name6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC(CO)CO)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O4S/c9-8-2-1-7(3-10-8)16(14,15)11-6(4-12)5-13/h1-3,6,11-13H,4-5H2
InChIKeyUPQAKUMRSIAOHZ-UHFFFAOYSA-N
XLogP-0.63
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
methyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 60639366
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
6-chloropyridine-3-sulfonic acid
CID 2762861
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 90954115

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide (CID 65314396) is 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide is O=S(=O)(NC(CO)CO)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is UPQAKUMRSIAOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S/c9-8-2-1-7(3-10-8)16(14,15)11-6(4-12)5-13/h1-3,6,11-13H,4-5H2.
What are the key properties of 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide?
6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 266.71 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65314396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).