4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

C14H21ClN2O3S — CID 65119728

IUPAC4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-2-11-3-6-14(18,7-4-11)10-17-21(19,20)13-9-16-8-5-12(13)15/h5,8-9,11,17-18H,2-4,6-7,10H2,1H3
InChIKeyDTVBFXKZNIKEEY-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.34
Rot. Bonds5

About 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 65119728) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID65119728
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-2-11-3-6-14(18,7-4-11)10-17-21(19,20)13-9-16-8-5-12(13)15/h5,8-9,11,17-18H,2-4,6-7,10H2,1H3
InChIKeyDTVBFXKZNIKEEY-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121845
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693115
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104710096
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295661
4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (CID 65119728) is 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is CCC1CCC(O)(CNS(=O)(=O)c2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is DTVBFXKZNIKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-2-11-3-6-14(18,7-4-11)10-17-21(19,20)13-9-16-8-5-12(13)15/h5,8-9,11,17-18H,2-4,6-7,10H2,1H3.
What are the key properties of 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 332.85 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 65119728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).