4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide

C13H23N3O3S — CID 82901521

IUPAC4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC(C)CCCO)c1
InChIInChI=1S/C13H23N3O3S/c1-3-15-20(18,19)11-6-7-12(14)13(9-11)16-10(2)5-4-8-17/h6-7,9-10,15-17H,3-5,8,14H2,1-2H3
InChIKeyVODMRQHHCGLCDP-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.14
Rot. Bonds8

About 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide

4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide (PubChem CID 82901521) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
PubChem CID82901521
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC(C)CCCO)c1
InChIInChI=1S/C13H23N3O3S/c1-3-15-20(18,19)11-6-7-12(14)13(9-11)16-10(2)5-4-8-17/h6-7,9-10,15-17H,3-5,8,14H2,1-2H3
InChIKeyVODMRQHHCGLCDP-UHFFFAOYSA-N
XLogP1.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.14
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-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 82901626
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide (CID 82901521) is 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NC(C)CCCO)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
The InChIKey is VODMRQHHCGLCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-15-20(18,19)11-6-7-12(14)13(9-11)16-10(2)5-4-8-17/h6-7,9-10,15-17H,3-5,8,14H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.14, 8 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-(5-hydroxypentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 82901521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).