N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide

C14H23NO5S — CID 103931277

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C(C)(C)O)c(OC)c1
InChIInChI=1S/C14H23NO5S/c1-13(2,14(3,4)16)15-21(17,18)12-8-7-10(19-5)9-11(12)20-6/h7-9,15-16H,1-6H3
InChIKeyUKTRNNDJNSOCCZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.53
Rot. Bonds6

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 103931277) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide
PubChem CID103931277
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C(C)(C)O)c(OC)c1
InChIInChI=1S/C14H23NO5S/c1-13(2,14(3,4)16)15-21(17,18)12-8-7-10(19-5)9-11(12)20-6/h7-9,15-16H,1-6H3
InChIKeyUKTRNNDJNSOCCZ-UHFFFAOYSA-N
XLogP1.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide 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-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
[(2,4-dimethoxyphenyl)sulfonylamino]urea
CID 140662030
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
2-[(2,4-dimethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673485
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide (CID 103931277) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)C(C)(C)O)c(OC)c1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is UKTRNNDJNSOCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-13(2,14(3,4)16)15-21(17,18)12-8-7-10(19-5)9-11(12)20-6/h7-9,15-16H,1-6H3.
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 103931277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).