N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide

C17H16ClN3O2S — CID 67645870

IUPACN-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCCc1[nH]nc(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-2-15-16(12-8-10-13(18)11-9-12)17(20-19-15)21-24(22,23)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H2,19,20,21)
InChIKeyVETFUFOIMHJPPD-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.09
Rot. Bonds5

About N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide

N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645870) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID67645870
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCCc1[nH]nc(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-2-15-16(12-8-10-13(18)11-9-12)17(20-19-15)21-24(22,23)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H2,19,20,21)
InChIKeyVETFUFOIMHJPPD-UHFFFAOYSA-N
XLogP4.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide (CID 67645870) is N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide is CCc1[nH]nc(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is VETFUFOIMHJPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-2-15-16(12-8-10-13(18)11-9-12)17(20-19-15)21-24(22,23)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H2,19,20,21).
What are the key properties of N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).