N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

C13H17N3O2S — CID 54934032

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCCc1ccc(CN(C)S(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-11-4-6-12(7-5-11)10-16(2)19(17,18)13-8-14-15-9-13/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyMXWIMRQNNKKPKS-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.79
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54934032) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54934032
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCCc1ccc(CN(C)S(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-11-4-6-12(7-5-11)10-16(2)19(17,18)13-8-14-15-9-13/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyMXWIMRQNNKKPKS-UHFFFAOYSA-N
XLogP1.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 60917171
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 64511314
N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide
CID 115967817
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
CID 60916490
N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 62855891
3-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzenesulfonamide
CID 2551092
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43402453

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (CID 54934032) is N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is CCc1ccc(CN(C)S(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MXWIMRQNNKKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-11-4-6-12(7-5-11)10-16(2)19(17,18)13-8-14-15-9-13/h4-9H,3,10H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.79, 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-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54934032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).