2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide

C13H19ClN2O3S — CID 115755597

IUPAC2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCCCC1)c1cccnc1Cl
InChIInChI=1S/C13H19ClN2O3S/c14-12-11(5-4-8-15-12)20(18,19)16-9-13(10-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9-10H2
InChIKeyLYDGSLQUEXWXST-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.96
Rot. Bonds5

About 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide

2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide (PubChem CID 115755597) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
PubChem CID115755597
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCCCC1)c1cccnc1Cl
InChIInChI=1S/C13H19ClN2O3S/c14-12-11(5-4-8-15-12)20(18,19)16-9-13(10-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9-10H2
InChIKeyLYDGSLQUEXWXST-UHFFFAOYSA-N
XLogP1.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-N-[5-(3-hydroxy-propyl)-8-pyridin-3-yl-octyl]-benzenesulfonamide
CID 10478324
6-Chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 20116602
6-chloro-N-(2-phenylethyl)-3-pyridinesulfonamide
CID 822456
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)pyridine-3-sulfonamide
CID 45561177
N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide
CID 56765288
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
CID 71969784
N-{[4-(Hydroxymethyl)oxan-4-YL]methyl}pyridine-3-sulfonamide
CID 122556089
N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
CID 164637562
CP-533,536 metabolite M21
CID 10216456
N-((1R,2R)-2-(hydroxymethyl)cyclohexyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59497782
N-[2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 72308123
N-[2-(4-chloro-2-pyridinyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
CID 91212551

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide (CID 115755597) is 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1(CO)CCCCC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide?
The InChIKey is LYDGSLQUEXWXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-12-11(5-4-8-15-12)20(18,19)16-9-13(10-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9-10H2.
What are the key properties of 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide?
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115755597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).