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

C12H17N5O2S — CID 107462094

IUPAC4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCCc1nn(C)cc1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H17N5O2S/c1-3-10-12(7-17(2)16-10)15-11-6-8(20(14,18)19)4-5-9(11)13/h4-7,15H,3,13H2,1-2H3,(H2,14,18,19)
InChIKeyCRLABJSXXCNUHW-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.96
Rot. Bonds4

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

4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide (PubChem CID 107462094) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
PubChem CID107462094
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCCc1nn(C)cc1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H17N5O2S/c1-3-10-12(7-17(2)16-10)15-11-6-8(20(14,18)19)4-5-9(11)13/h4-7,15H,3,13H2,1-2H3,(H2,14,18,19)
InChIKeyCRLABJSXXCNUHW-UHFFFAOYSA-N
XLogP0.96
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107463553
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
CID 102803689
2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide
CID 107462202
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzenesulfonamide
CID 115990498
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-amino-3-(2-ethoxyanilino)benzenesulfonamide
CID 82900046

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide (CID 107462094) is 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide is CCc1nn(C)cc1Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The InChIKey is CRLABJSXXCNUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-10-12(7-17(2)16-10)15-11-6-8(20(14,18)19)4-5-9(11)13/h4-7,15H,3,13H2,1-2H3,(H2,14,18,19).
What are the key properties of 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide?
4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 107462094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).