5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide

C13H22N2O5S — CID 102946119

IUPAC5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1cc(N)c(OC)cc1OC
InChIInChI=1S/C13H22N2O5S/c1-4-5-9(16)8-15-21(17,18)13-6-10(14)11(19-2)7-12(13)20-3/h6-7,9,15-16H,4-5,8,14H2,1-3H3
InChIKeyWMTYWCWANQDMSD-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.73
Rot. Bonds8

About 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide

5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 102946119) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID102946119
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1cc(N)c(OC)cc1OC
InChIInChI=1S/C13H22N2O5S/c1-4-5-9(16)8-15-21(17,18)13-6-10(14)11(19-2)7-12(13)20-3/h6-7,9,15-16H,4-5,8,14H2,1-3H3
InChIKeyWMTYWCWANQDMSD-UHFFFAOYSA-N
XLogP0.73
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
N-(2-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754448
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
N-(2-hydroxypentyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 115754543
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide (CID 102946119) is 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide is CCCC(O)CNS(=O)(=O)c1cc(N)c(OC)cc1OC.
What is the InChIKey of 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is WMTYWCWANQDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-4-5-9(16)8-15-21(17,18)13-6-10(14)11(19-2)7-12(13)20-3/h6-7,9,15-16H,4-5,8,14H2,1-3H3.
What are the key properties of 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide?
5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 102946119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).