4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide

C12H19ClN2O3S — CID 104940855

IUPAC4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-3-12(4-2,9-16)8-15-19(17,18)11-7-14-6-5-10(11)13/h5-7,15-16H,3-4,8-9H2,1-2H3
InChIKeyCLYFXPRZBAVSKX-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.81
Rot. Bonds7

About 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide

4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide (PubChem CID 104940855) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
PubChem CID104940855
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-3-12(4-2,9-16)8-15-19(17,18)11-7-14-6-5-10(11)13/h5-7,15-16H,3-4,8-9H2,1-2H3
InChIKeyCLYFXPRZBAVSKX-UHFFFAOYSA-N
XLogP1.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
CID 105061056
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104940865
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
4-chloro-N-[3-(diethylamino)propyl]pyridine-3-sulfonamide
CID 15154305
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
CID 106336289
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65119728
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295661
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide
CID 106250052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide (CID 104940855) is 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide is CCC(CC)(CO)CNS(=O)(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide?
The InChIKey is CLYFXPRZBAVSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-3-12(4-2,9-16)8-15-19(17,18)11-7-14-6-5-10(11)13/h5-7,15-16H,3-4,8-9H2,1-2H3.
What are the key properties of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide?
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide is sourced from PubChem (CID 104940855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).