6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide

C13H18N4O2S — CID 104617205

IUPAC6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C13H18N4O2S/c1-4-10-7-15-16-13(10)17-20(18,19)12-9(3)8(2)5-6-11(12)14/h5-7H,4,14H2,1-3H3,(H2,15,16,17)
InChIKeyLOPQKLJZMMCMMH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.97
Rot. Bonds4

About 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide (PubChem CID 104617205) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
PubChem CID104617205
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C13H18N4O2S/c1-4-10-7-15-16-13(10)17-20(18,19)12-9(3)8(2)5-6-11(12)14/h5-7H,4,14H2,1-3H3,(H2,15,16,17)
InChIKeyLOPQKLJZMMCMMH-UHFFFAOYSA-N
XLogP1.97
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617270
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
CID 104617199
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 104621059
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide (CID 104617205) is 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is LOPQKLJZMMCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-10-7-15-16-13(10)17-20(18,19)12-9(3)8(2)5-6-11(12)14/h5-7H,4,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 104617205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).