N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide

C14H23NO3S — CID 103896593

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)CCCO)cc1
InChIInChI=1S/C14H23NO3S/c1-12-5-7-13(8-6-12)19(17,18)15-11-14(2,3)9-4-10-16/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyHHTMJPAPWDXPHY-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.07
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide

N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide (PubChem CID 103896593) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
PubChem CID103896593
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)CCCO)cc1
InChIInChI=1S/C14H23NO3S/c1-12-5-7-13(8-6-12)19(17,18)15-11-14(2,3)9-4-10-16/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyHHTMJPAPWDXPHY-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
CID 113347931
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106139933
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzenesulfonamide
CID 106140106
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 126815306
N-[13-hydroxy-2-[[(4-methylphenyl)sulfonylamino]methyl]tridecyl]-4-methylbenzenesulfonamide
CID 19755985
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzenesulfonamide
CID 113318758
4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362965
N-(2,2-dimethyl-3-oxopropyl)-4-methylbenzenesulfonamide
CID 11402591
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide (CID 103896593) is N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)CCCO)cc1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide?
The InChIKey is HHTMJPAPWDXPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-12-5-7-13(8-6-12)19(17,18)15-11-14(2,3)9-4-10-16/h5-8,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide?
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 103896593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).