4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide

C14H23N3O2S — CID 82900800

IUPAC4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC(C)CC2CC2)c1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)12-6-7-13(15)14(9-12)17-10(2)8-11-4-5-11/h6-7,9-11,16-17H,3-5,8,15H2,1-2H3
InChIKeyHXOKNYUCOCIUEN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.17
Rot. Bonds7

About 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide

4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide (PubChem CID 82900800) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
PubChem CID82900800
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC(C)CC2CC2)c1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)12-6-7-13(15)14(9-12)17-10(2)8-11-4-5-11/h6-7,9-11,16-17H,3-5,8,15H2,1-2H3
InChIKeyHXOKNYUCOCIUEN-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
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-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
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-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 113489821
4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
CID 82898670
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 63994997
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide (CID 82900800) is 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NC(C)CC2CC2)c1.
What is the InChIKey of 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide?
The InChIKey is HXOKNYUCOCIUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-16-20(18,19)12-6-7-13(15)14(9-12)17-10(2)8-11-4-5-11/h6-7,9-11,16-17H,3-5,8,15H2,1-2H3.
What are the key properties of 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide?
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82900800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).