4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide

C15H26N2O3S — CID 106284209

IUPAC4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C15H26N2O3S/c1-5-12(6-2)14(18)9-17-21(19,20)15-10(3)7-13(16)8-11(15)4/h7-8,12,14,17-18H,5-6,9,16H2,1-4H3
InChIKeyUQPOOFXWQXDCTI-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.96
Rot. Bonds7

About 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 106284209) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
PubChem CID106284209
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C15H26N2O3S/c1-5-12(6-2)14(18)9-17-21(19,20)15-10(3)7-13(16)8-11(15)4/h7-8,12,14,17-18H,5-6,9,16H2,1-4H3
InChIKeyUQPOOFXWQXDCTI-UHFFFAOYSA-N
XLogP1.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide 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

N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165069
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 106284208
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106284162
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525
6-amino-N-(3-ethyl-2-hydroxypentyl)pyridine-3-sulfonamide
CID 106284185

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide (CID 106284209) is 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is UQPOOFXWQXDCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-12(6-2)14(18)9-17-21(19,20)15-10(3)7-13(16)8-11(15)4/h7-8,12,14,17-18H,5-6,9,16H2,1-4H3.
What are the key properties of 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106284209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).