5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

C12H16Cl2N2O3S — CID 64911363

IUPAC5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c13-10-5-9(7-15-12(10)14)20(18,19)16-6-8-3-1-2-4-11(8)17/h5,7-8,11,16-17H,1-4,6H2
InChIKeyAKZQOPNOJMBWID-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.22
Rot. Bonds4

About 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 64911363) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID64911363
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c13-10-5-9(7-15-12(10)14)20(18,19)16-6-8-3-1-2-4-11(8)17/h5,7-8,11,16-17H,1-4,6H2
InChIKeyAKZQOPNOJMBWID-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.22
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

5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
4-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150733
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 113337757
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (CID 64911363) is 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1CCCCC1O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is AKZQOPNOJMBWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-10-5-9(7-15-12(10)14)20(18,19)16-6-8-3-1-2-4-11(8)17/h5,7-8,11,16-17H,1-4,6H2.
What are the key properties of 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64911363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).