5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide

C13H22N2O3S — CID 106119263

IUPAC5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCCC(C)O)c1C
InChIInChI=1S/C13H22N2O3S/c1-9-7-12(14)8-13(11(9)3)19(17,18)15-6-4-5-10(2)16/h7-8,10,15-16H,4-6,14H2,1-3H3
InChIKeyNZIJUMDYCYQZJB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.32
Rot. Bonds6

About 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 106119263) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
PubChem CID106119263
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCCC(C)O)c1C
InChIInChI=1S/C13H22N2O3S/c1-9-7-12(14)8-13(11(9)3)19(17,18)15-6-4-5-10(2)16/h7-8,10,15-16H,4-6,14H2,1-3H3
InChIKeyNZIJUMDYCYQZJB-UHFFFAOYSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.32
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-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-5-bromo-N-(4-hydroxypentyl)-2-methylbenzenesulfonamide
CID 106119259
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 80646485
5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
CID 107150811
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 106125984
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide (CID 106119263) is 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCCC(C)O)c1C.
What is the InChIKey of 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is NZIJUMDYCYQZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-7-12(14)8-13(11(9)3)19(17,18)15-6-4-5-10(2)16/h7-8,10,15-16H,4-6,14H2,1-3H3.
What are the key properties of 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106119263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).