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

C15H26N2O3S — CID 106284208

IUPAC3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C15H26N2O3S/c1-5-12(6-2)14(18)9-17-21(19,20)15-8-10(3)7-13(16)11(15)4/h7-8,12,14,17-18H,5-6,9,16H2,1-4H3
InChIKeyFZIZNQDJEPFPDW-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.96
Rot. Bonds7

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

3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 106284208) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
PubChem CID106284208
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C15H26N2O3S/c1-5-12(6-2)14(18)9-17-21(19,20)15-8-10(3)7-13(16)11(15)4/h7-8,12,14,17-18H,5-6,9,16H2,1-4H3
InChIKeyFZIZNQDJEPFPDW-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'}

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Related Compounds

3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 79889906
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79888991
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide (CID 106284208) is 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1cc(C)cc(N)c1C.
What is the InChIKey of 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is FZIZNQDJEPFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-12(6-2)14(18)9-17-21(19,20)15-8-10(3)7-13(16)11(15)4/h7-8,12,14,17-18H,5-6,9,16H2,1-4H3.
What are the key properties of 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-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 3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106284208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).