N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C14H20N2O5S — CID 126815306

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H20N2O5S/c1-14(2,6-3-7-17)9-15-22(19,20)10-4-5-11-12(8-10)21-13(18)16-11/h4-5,8,15,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyJEYAUXOWMMYLBL-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.20
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 126815306) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID126815306
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H20N2O5S/c1-14(2,6-3-7-17)9-15-22(19,20)10-4-5-11-12(8-10)21-13(18)16-11/h4-5,8,15,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyJEYAUXOWMMYLBL-UHFFFAOYSA-N
XLogP1.20
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide 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

N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
CID 113347931
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one
CID 115216677
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110370794
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 136873675
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110789459

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 126815306) is N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is CC(C)(CCCO)CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is JEYAUXOWMMYLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-14(2,6-3-7-17)9-15-22(19,20)10-4-5-11-12(8-10)21-13(18)16-11/h4-5,8,15,17H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 126815306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).