5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide

C13H22N2O3S — CID 107843500

IUPAC5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H22N2O3S/c1-11-6-7-12(14)10-13(11)19(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9,14H2,1H3
InChIKeySQARVBXTNXAZPV-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.41
Rot. Bonds8

About 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide

5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide (PubChem CID 107843500) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
PubChem CID107843500
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H22N2O3S/c1-11-6-7-12(14)10-13(11)19(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9,14H2,1H3
InChIKeySQARVBXTNXAZPV-UHFFFAOYSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.41
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

5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
3-(5-hydroxypentylsulfamoyl)-4-methylbenzoic acid
CID 107316564
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide (CID 107843500) is 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCCCCCCO.
What is the InChIKey of 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The InChIKey is SQARVBXTNXAZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11-6-7-12(14)10-13(11)19(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 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107843500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).