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

C12H19N3O2S — CID 82900359

IUPAC4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC2CC2C)c1
InChIInChI=1S/C12H19N3O2S/c1-3-14-18(16,17)9-4-5-10(13)12(7-9)15-11-6-8(11)2/h4-5,7-8,11,14-15H,3,6,13H2,1-2H3
InChIKeyPGTQIAVCZURKKU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds5

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

4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide (PubChem CID 82900359) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
PubChem CID82900359
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC2CC2C)c1
InChIInChI=1S/C12H19N3O2S/c1-3-14-18(16,17)9-4-5-10(13)12(7-9)15-11-6-8(11)2/h4-5,7-8,11,14-15H,3,6,13H2,1-2H3
InChIKeyPGTQIAVCZURKKU-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
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

4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
CID 82898670
4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide
CID 114628698
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994
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-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
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-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide (CID 82900359) is 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NC2CC2C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The InChIKey is PGTQIAVCZURKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-14-18(16,17)9-4-5-10(13)12(7-9)15-11-6-8(11)2/h4-5,7-8,11,14-15H,3,6,13H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide is sourced from PubChem (CID 82900359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).