3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide

C13H18N4O2S — CID 43776942

IUPAC3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
SMILESCCn1cc(NC(C)c2cccc(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C13H18N4O2S/c1-3-17-9-12(8-15-17)16-10(2)11-5-4-6-13(7-11)20(14,18)19/h4-10,16H,3H2,1-2H3,(H2,14,18,19)
InChIKeySXTQBIGQXYCNTO-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.72
Rot. Bonds5

About 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide

3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 43776942) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID43776942
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
SMILESCCn1cc(NC(C)c2cccc(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C13H18N4O2S/c1-3-17-9-12(8-15-17)16-10(2)11-5-4-6-13(7-11)20(14,18)19/h4-10,16H,3H2,1-2H3,(H2,14,18,19)
InChIKeySXTQBIGQXYCNTO-UHFFFAOYSA-N
XLogP1.72
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 133358707
3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43791798
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide (CID 43776942) is 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide is CCn1cc(NC(C)c2cccc(S(N)(=O)=O)c2)cn1.
What is the InChIKey of 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is SXTQBIGQXYCNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-17-9-12(8-15-17)16-10(2)11-5-4-6-13(7-11)20(14,18)19/h4-10,16H,3H2,1-2H3,(H2,14,18,19).
What are the key properties of 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 43776942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).