2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide

C13H19N5O2S — CID 107462202

IUPAC2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide
SMILESCCc1nn(C)cc1Nc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C13H19N5O2S/c1-4-11-12(8-18(3)17-11)16-9-5-6-13(10(14)7-9)21(19,20)15-2/h5-8,15-16H,4,14H2,1-3H3
InChIKeyJGQQWRIBVJVKLZ-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.22
Rot. Bonds5

About 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide

2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 107462202) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide
PubChem CID107462202
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide
SMILESCCc1nn(C)cc1Nc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C13H19N5O2S/c1-4-11-12(8-18(3)17-11)16-9-5-6-13(10(14)7-9)21(19,20)15-2/h5-8,15-16H,4,14H2,1-3H3
InChIKeyJGQQWRIBVJVKLZ-UHFFFAOYSA-N
XLogP1.22
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.22
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-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
CID 80640845
4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylpyridin-4-amine
CID 107463662
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
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-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
CID 80646449
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide (CID 107462202) is 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide is CCc1nn(C)cc1Nc1ccc(S(=O)(=O)NC)c(N)c1.
What is the InChIKey of 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is JGQQWRIBVJVKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-4-11-12(8-18(3)17-11)16-9-5-6-13(10(14)7-9)21(19,20)15-2/h5-8,15-16H,4,14H2,1-3H3.
What are the key properties of 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide?
2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 107462202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).