N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide

C14H23NO5S — CID 61246370

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(CO)CC(C)C)c1
InChIInChI=1S/C14H23NO5S/c1-10(2)7-11(9-16)15-21(17,18)14-8-12(19-3)5-6-13(14)20-4/h5-6,8,10-11,15-16H,7,9H2,1-4H3
InChIKeyDJOPBUBKJWXUOV-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.39
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 61246370) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID61246370
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(CO)CC(C)C)c1
InChIInChI=1S/C14H23NO5S/c1-10(2)7-11(9-16)15-21(17,18)14-8-12(19-3)5-6-13(14)20-4/h5-6,8,10-11,15-16H,7,9H2,1-4H3
InChIKeyDJOPBUBKJWXUOV-UHFFFAOYSA-N
XLogP1.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681907
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide
CID 3870840

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide (CID 61246370) is N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC(CO)CC(C)C)c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is DJOPBUBKJWXUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-10(2)7-11(9-16)15-21(17,18)14-8-12(19-3)5-6-13(14)20-4/h5-6,8,10-11,15-16H,7,9H2,1-4H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 61246370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).