6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

C12H17ClN2O3S — CID 103835870

IUPAC6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O3S/c13-12-5-4-11(8-14-12)19(17,18)15-7-9-2-1-3-10(16)6-9/h4-5,8-10,15-16H,1-3,6-7H2
InChIKeyYCQUDSMDXJWPTE-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.56
Rot. Bonds4

About 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 103835870) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID103835870
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O3S/c13-12-5-4-11(8-14-12)19(17,18)15-7-9-2-1-3-10(16)6-9/h4-5,8-10,15-16H,1-3,6-7H2
InChIKeyYCQUDSMDXJWPTE-UHFFFAOYSA-N
XLogP1.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.56
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

2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295654
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (CID 103835870) is 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1CCCC(O)C1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is YCQUDSMDXJWPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-12-5-4-11(8-14-12)19(17,18)15-7-9-2-1-3-10(16)6-9/h4-5,8-10,15-16H,1-3,6-7H2.
What are the key properties of 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 103835870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).