2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide

C13H19NO3S — CID 112746969

IUPAC2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCC1)Nc1ccc(CO)cc1
InChIInChI=1S/C13H19NO3S/c15-10-12-4-6-13(7-5-12)14-18(16,17)9-8-11-2-1-3-11/h4-7,11,14-15H,1-3,8-10H2
InChIKeyKLJZLTYROPCCJA-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.11
Rot. Bonds6

About 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide

2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide (PubChem CID 112746969) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
PubChem CID112746969
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCC1)Nc1ccc(CO)cc1
InChIInChI=1S/C13H19NO3S/c15-10-12-4-6-13(7-5-12)14-18(16,17)9-8-11-2-1-3-11/h4-7,11,14-15H,1-3,8-10H2
InChIKeyKLJZLTYROPCCJA-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide
CID 167814172
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
5-(2-cyclopentylethylsulfonylamino)pyridine-2-sulfonamide
CID 126833411
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
4-(2-cyclopentylethylsulfonylamino)-2,6-difluorobenzoic acid
CID 167767632
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
CID 115071321
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69185428

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide (CID 112746969) is 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide is O=S(=O)(CCC1CCC1)Nc1ccc(CO)cc1.
What is the InChIKey of 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide?
The InChIKey is KLJZLTYROPCCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c15-10-12-4-6-13(7-5-12)14-18(16,17)9-8-11-2-1-3-11/h4-7,11,14-15H,1-3,8-10H2.
What are the key properties of 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide?
2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 112746969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).