3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide

C12H20N2O3S — CID 107316310

IUPAC3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NCCCCCO
InChIInChI=1S/C12H20N2O3S/c1-10-11(13)6-5-7-12(10)18(16,17)14-8-3-2-4-9-15/h5-7,14-15H,2-4,8-9,13H2,1H3
InChIKeyOXTUGGMFZCJDSZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.02
Rot. Bonds7

About 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide

3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide (PubChem CID 107316310) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
PubChem CID107316310
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NCCCCCO
InChIInChI=1S/C12H20N2O3S/c1-10-11(13)6-5-7-12(10)18(16,17)14-8-3-2-4-9-15/h5-7,14-15H,2-4,8-9,13H2,1H3
InChIKeyOXTUGGMFZCJDSZ-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308661
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzenesulfonamide
CID 106140106
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
CID 43553098
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454078

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide (CID 107316310) is 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)NCCCCCO.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide?
The InChIKey is OXTUGGMFZCJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-11(13)6-5-7-12(10)18(16,17)14-8-3-2-4-9-15/h5-7,14-15H,2-4,8-9,13H2,1H3.
What are the key properties of 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide?
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107316310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).