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

C12H18N2O3S — CID 113318540

IUPACN-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1cccnc1
InChIInChI=1S/C12H18N2O3S/c15-11-4-1-3-10(7-11)8-14-18(16,17)12-5-2-6-13-9-12/h2,5-6,9-11,14-15H,1,3-4,7-8H2
InChIKeyZMHOMLZXGOJMEK-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.91
Rot. Bonds4

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

N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 113318540) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID113318540
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1cccnc1
InChIInChI=1S/C12H18N2O3S/c15-11-4-1-3-10(7-11)8-14-18(16,17)12-5-2-6-13-9-12/h2,5-6,9-11,14-15H,1,3-4,7-8H2
InChIKeyZMHOMLZXGOJMEK-UHFFFAOYSA-N
XLogP0.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
CID 155959673

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (CID 113318540) is N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1CCCC(O)C1)c1cccnc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZMHOMLZXGOJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-11-4-1-3-10(7-11)8-14-18(16,17)12-5-2-6-13-9-12/h2,5-6,9-11,14-15H,1,3-4,7-8H2.
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 113318540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).