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

C13H22N2O3S — CID 107843459

IUPAC2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H22N2O3S/c1-11-7-6-8-12(14)13(11)19(17,18)15-9-4-2-3-5-10-16/h6-8,15-16H,2-5,9-10,14H2,1H3
InChIKeyKQLKEJLSFULJCN-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.41
Rot. Bonds8

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

2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide (PubChem CID 107843459) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
PubChem CID107843459
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H22N2O3S/c1-11-7-6-8-12(14)13(11)19(17,18)15-9-4-2-3-5-10-16/h6-8,15-16H,2-5,9-10,14H2,1H3
InChIKeyKQLKEJLSFULJCN-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'}

Analyze 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide 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-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide (CID 107843459) is 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCCCCCCO.
What is the InChIKey of 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide?
The InChIKey is KQLKEJLSFULJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11-7-6-8-12(14)13(11)19(17,18)15-9-4-2-3-5-10-16/h6-8,15-16H,2-5,9-10,14H2,1H3.
What are the key properties of 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide?
2-amino-N-(6-hydroxyhexyl)-6-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 2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 107843459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).