3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide

C15H26N2O3S — CID 106113471

IUPAC3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C15H26N2O3S/c1-4-5-13(6-7-18)10-17-21(19,20)14-8-11(2)12(3)15(16)9-14/h8-9,13,17-18H,4-7,10,16H2,1-3H3
InChIKeyOGPUWHOFECSMFF-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.96
Rot. Bonds8

About 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide

3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 106113471) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
PubChem CID106113471
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C15H26N2O3S/c1-4-5-13(6-7-18)10-17-21(19,20)14-8-11(2)12(3)15(16)9-14/h8-9,13,17-18H,4-7,10,16H2,1-3H3
InChIKeyOGPUWHOFECSMFF-UHFFFAOYSA-N
XLogP1.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903371
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113439
3-amino-N-(2-ethyl-4-hydroxybutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625939
3-amino-N-(5-hydroxy-4-methylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106152997
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide (CID 106113471) is 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is OGPUWHOFECSMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-5-13(6-7-18)10-17-21(19,20)14-8-11(2)12(3)15(16)9-14/h8-9,13,17-18H,4-7,10,16H2,1-3H3.
What are the key properties of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide?
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106113471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).