1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide

C16H23N3O2S — CID 22775202

IUPAC1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O2S/c1-10(2)14-9-7-8-11(3)15(14)18-22(20,21)16-12(4)17-19(6)13(16)5/h7-10,18H,1-6H3
InChIKeyFIZMVSMJNQLEAF-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.27
Rot. Bonds4

About 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide (PubChem CID 22775202) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
PubChem CID22775202
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O2S/c1-10(2)14-9-7-8-11(3)15(14)18-22(20,21)16-12(4)17-19(6)13(16)5/h7-10,18H,1-6H3
InChIKeyFIZMVSMJNQLEAF-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 63977546
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 19683992
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106913044
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
1,3,5-trimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 8823656
(2,6-dimethylphenyl) 1,3,5-trimethylpyrazole-4-sulfonate
CID 78820767

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide (CID 22775202) is 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide is Cc1cccc(C(C)C)c1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The InChIKey is FIZMVSMJNQLEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10(2)14-9-7-8-11(3)15(14)18-22(20,21)16-12(4)17-19(6)13(16)5/h7-10,18H,1-6H3.
What are the key properties of 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22775202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).