3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide

C13H22N2O4S — CID 107843502

IUPAC3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCO)cc1N
InChIInChI=1S/C13H22N2O4S/c1-19-13-7-6-11(10-12(13)14)20(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9,14H2,1H3
InChIKeyJGVUSRDROZRNJN-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.11
Rot. Bonds9

About 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide

3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide (PubChem CID 107843502) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
PubChem CID107843502
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCO)cc1N
InChIInChI=1S/C13H22N2O4S/c1-19-13-7-6-11(10-12(13)14)20(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9,14H2,1H3
InChIKeyJGVUSRDROZRNJN-UHFFFAOYSA-N
XLogP1.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide (CID 107843502) is 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCCCO)cc1N.
What is the InChIKey of 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
The InChIKey is JGVUSRDROZRNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-19-13-7-6-11(10-12(13)14)20(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9,14H2,1H3.
What are the key properties of 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 107843502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).