2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide

C12H19NO3S — CID 114132450

IUPAC2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccccc1CO
InChIInChI=1S/C12H19NO3S/c1-10(2)7-8-13-17(15,16)12-6-4-3-5-11(12)9-14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeySXVRKBOVHVQTEI-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.50
Rot. Bonds6

About 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide

2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 114132450) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
PubChem CID114132450
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccccc1CO
InChIInChI=1S/C12H19NO3S/c1-10(2)7-8-13-17(15,16)12-6-4-3-5-11(12)9-14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeySXVRKBOVHVQTEI-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
2-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014448
2-(3-methylbutylsulfamoyl)benzenecarbothioamide
CID 24709997
2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 113494155
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 106017053
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide (CID 114132450) is 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is SXVRKBOVHVQTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10(2)7-8-13-17(15,16)12-6-4-3-5-11(12)9-14/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide?
2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 114132450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).