N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide

C14H19N3O2S — CID 20855724

IUPACN,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-6-8-13(9-10)17(5)20(18,19)14-11(2)15-16(4)12(14)3/h6-9H,1-5H3
InChIKeyAPYMIMUKMIADLH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.17
Rot. Bonds3

About N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide

N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 20855724) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
PubChem CID20855724
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-6-8-13(9-10)17(5)20(18,19)14-11(2)15-16(4)12(14)3/h6-9H,1-5H3
InChIKeyAPYMIMUKMIADLH-UHFFFAOYSA-N
XLogP2.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide (CID 20855724) is N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is APYMIMUKMIADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-6-8-13(9-10)17(5)20(18,19)14-11(2)15-16(4)12(14)3/h6-9H,1-5H3.
What are the key properties of N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 20855724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).