N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide

C11H13N3O2S — CID 102691585

IUPACN-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-9-5-3-4-6-10(9)14-17(15,16)11-7-8-12-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyLZEPZHTYWMIBMC-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.77
Rot. Bonds4

About N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide

N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691585) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691585
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-9-5-3-4-6-10(9)14-17(15,16)11-7-8-12-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyLZEPZHTYWMIBMC-UHFFFAOYSA-N
XLogP1.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692559
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691731
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarbothioamide
CID 107799115
N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692481
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide (CID 102691585) is N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide is CCc1ccccc1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is LZEPZHTYWMIBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-9-5-3-4-6-10(9)14-17(15,16)11-7-8-12-13-11/h3-8,14H,2H2,1H3,(H,12,13).
What are the key properties of N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide?
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).