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

C14H25N3O3S — CID 82902466

IUPAC4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(CC)CCO)c1
InChIInChI=1S/C14H25N3O3S/c1-3-11(7-8-18)10-16-14-9-12(5-6-13(14)15)21(19,20)17-4-2/h5-6,9,11,16-18H,3-4,7-8,10,15H2,1-2H3
InChIKeyGJZHYZSGOYGQNJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.39
Rot. Bonds9

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

4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide (PubChem CID 82902466) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
PubChem CID82902466
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(CC)CCO)c1
InChIInChI=1S/C14H25N3O3S/c1-3-11(7-8-18)10-16-14-9-12(5-6-13(14)15)21(19,20)17-4-2/h5-6,9,11,16-18H,3-4,7-8,10,15H2,1-2H3
InChIKeyGJZHYZSGOYGQNJ-UHFFFAOYSA-N
XLogP1.39
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82901521
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide (CID 82902466) is 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NCC(CC)CCO)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide?
The InChIKey is GJZHYZSGOYGQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-11(7-8-18)10-16-14-9-12(5-6-13(14)15)21(19,20)17-4-2/h5-6,9,11,16-18H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide?
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.39, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide is sourced from PubChem (CID 82902466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).