3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide

C13H18N4O3S — CID 61125168

IUPAC3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCCOc1cc(C)ccc1NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C13H18N4O3S/c1-4-20-11-7-9(2)5-6-10(11)16-21(18,19)12-8-17(3)15-13(12)14/h5-8,16H,4H2,1-3H3,(H2,14,15)
InChIKeyNJWKAMSVMGDFSD-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 61125168) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID61125168
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCCOc1cc(C)ccc1NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C13H18N4O3S/c1-4-20-11-7-9(2)5-6-10(11)16-21(18,19)12-8-17(3)15-13(12)14/h5-8,16H,4H2,1-3H3,(H2,14,15)
InChIKeyNJWKAMSVMGDFSD-UHFFFAOYSA-N
XLogP1.51
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809611
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide (CID 61125168) is 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide is CCOc1cc(C)ccc1NS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is NJWKAMSVMGDFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-4-20-11-7-9(2)5-6-10(11)16-21(18,19)12-8-17(3)15-13(12)14/h5-8,16H,4H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 61125168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).