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

C15H21N3O2S — CID 6468977

IUPAC1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C15H21N3O2S/c1-10(2)13-8-6-7-11(3)15(13)17-21(19,20)14-9-18(5)16-12(14)4/h6-10,17H,1-5H3
InChIKeyNJPIIHKOMAYJQU-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.96
Rot. Bonds4

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

1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide (PubChem CID 6468977) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
PubChem CID6468977
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C15H21N3O2S/c1-10(2)13-8-6-7-11(3)15(13)17-21(19,20)14-9-18(5)16-12(14)4/h6-10,17H,1-5H3
InChIKeyNJPIIHKOMAYJQU-UHFFFAOYSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide (CID 6468977) is 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide is Cc1cccc(C(C)C)c1NS(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The InChIKey is NJPIIHKOMAYJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)13-8-6-7-11(3)15(13)17-21(19,20)14-9-18(5)16-12(14)4/h6-10,17H,1-5H3.
What are the key properties of 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6468977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).