N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C15H21N3O2S — CID 43402453

IUPACN-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCCc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-13-6-8-14(9-7-13)10-18(4)21(19,20)15-11(2)16-17-12(15)3/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyOIXDXNMIVIJDHW-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.41
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43402453) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43402453
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCCc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-13-6-8-14(9-7-13)10-18(4)21(19,20)15-11(2)16-17-12(15)3/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyOIXDXNMIVIJDHW-UHFFFAOYSA-N
XLogP2.41
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 43402453) is N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is CCc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OIXDXNMIVIJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-13-6-8-14(9-7-13)10-18(4)21(19,20)15-11(2)16-17-12(15)3/h6-9H,5,10H2,1-4H3,(H,16,17).
What are the key properties of N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43402453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).