4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide

C13H24N4O2S — CID 82900023

IUPAC4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(C)N(C)C)c1
InChIInChI=1S/C13H24N4O2S/c1-5-16-20(18,19)11-6-7-12(14)13(8-11)15-9-10(2)17(3)4/h6-8,10,15-16H,5,9,14H2,1-4H3
InChIKeyKKLHQLKAMKONTQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.93
Rot. Bonds7

About 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide

4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide (PubChem CID 82900023) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
PubChem CID82900023
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(C)N(C)C)c1
InChIInChI=1S/C13H24N4O2S/c1-5-16-20(18,19)11-6-7-12(14)13(8-11)15-9-10(2)17(3)4/h6-8,10,15-16H,5,9,14H2,1-4H3
InChIKeyKKLHQLKAMKONTQ-UHFFFAOYSA-N
XLogP0.93
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.93
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-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
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-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82901521
4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 82899224
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide (CID 82900023) is 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NCC(C)N(C)C)c1.
What is the InChIKey of 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide?
The InChIKey is KKLHQLKAMKONTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-16-20(18,19)11-6-7-12(14)13(8-11)15-9-10(2)17(3)4/h6-8,10,15-16H,5,9,14H2,1-4H3.
What are the key properties of 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide?
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82900023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).