1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide

C14H19N3O2S — CID 84595481

IUPAC1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10(2)13-7-5-6-11(3)14(13)16-20(18,19)12-8-15-17(4)9-12/h5-10,16H,1-4H3
InChIKeyKCYOAOWVTYFGAF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.65
Rot. Bonds4

About 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide

1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide (PubChem CID 84595481) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
PubChem CID84595481
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10(2)13-7-5-6-11(3)14(13)16-20(18,19)12-8-15-17(4)9-12/h5-10,16H,1-4H3
InChIKeyKCYOAOWVTYFGAF-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 51135609
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
N-[4-(2-chloro-6-methylphenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247143
1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 22775202
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289593
5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 63977546
N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170393410

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide (CID 84595481) is 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide is Cc1cccc(C(C)C)c1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The InChIKey is KCYOAOWVTYFGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)13-7-5-6-11(3)14(13)16-20(18,19)12-8-15-17(4)9-12/h5-10,16H,1-4H3.
What are the key properties of 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 84595481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).