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

C12H16N4O2S — CID 107463553

IUPAC4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCCc1nn(C)cc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N4O2S/c1-3-11-12(8-16(2)15-11)14-9-4-6-10(7-5-9)19(13,17)18/h4-8,14H,3H2,1-2H3,(H2,13,17,18)
InChIKeyWXTYDSNOPCSEFR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.37
Rot. Bonds4

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

4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide (PubChem CID 107463553) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
PubChem CID107463553
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCCc1nn(C)cc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N4O2S/c1-3-11-12(8-16(2)15-11)14-9-4-6-10(7-5-9)19(13,17)18/h4-8,14H,3H2,1-2H3,(H2,13,17,18)
InChIKeyWXTYDSNOPCSEFR-UHFFFAOYSA-N
XLogP1.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]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

4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094
2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide
CID 107462202
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzenesulfonamide
CID 115990498
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-nitrobenzoic acid
CID 107463417
N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylpyridin-4-amine
CID 107463662
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
2-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 107463292
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide (CID 107463553) is 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide is CCc1nn(C)cc1Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The InChIKey is WXTYDSNOPCSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-11-12(8-16(2)15-11)14-9-4-6-10(7-5-9)19(13,17)18/h4-8,14H,3H2,1-2H3,(H2,13,17,18).
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 107463553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).