4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide

C14H25N3O3S — CID 82902467

IUPAC4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCC(CCO)CNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H25N3O3S/c1-4-11(7-8-18)10-16-14-9-12(5-6-13(14)15)21(19,20)17(2)3/h5-6,9,11,16,18H,4,7-8,10,15H2,1-3H3
InChIKeyJYWIGSJHUXBQKL-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.34
Rot. Bonds8

About 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide

4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 82902467) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID82902467
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCC(CCO)CNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H25N3O3S/c1-4-11(7-8-18)10-16-14-9-12(5-6-13(14)15)21(19,20)17(2)3/h5-6,9,11,16,18H,4,7-8,10,15H2,1-3H3
InChIKeyJYWIGSJHUXBQKL-UHFFFAOYSA-N
XLogP1.34
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
4-amino-3-(4-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbenzenesulfonamide
CID 82901550
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
CID 82991324
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide (CID 82902467) is 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide is CCC(CCO)CNc1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JYWIGSJHUXBQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-11(7-8-18)10-16-14-9-12(5-6-13(14)15)21(19,20)17(2)3/h5-6,9,11,16,18H,4,7-8,10,15H2,1-3H3.
What are the key properties of 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide?
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82902467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).