N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C17H17N3O3S — CID 20914808

IUPACN-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-23-17-7-4-3-6-16(17)19-24(21,22)15-10-8-14(9-11-15)20-13-5-12-18-20/h3-13,19H,2H2,1H3
InChIKeySMGDKVFHHOUQCJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.07
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914808) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914808
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-23-17-7-4-3-6-16(17)19-24(21,22)15-10-8-14(9-11-15)20-13-5-12-18-20/h3-13,19H,2H2,1H3
InChIKeySMGDKVFHHOUQCJ-UHFFFAOYSA-N
XLogP3.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914808) is N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is SMGDKVFHHOUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-23-17-7-4-3-6-16(17)19-24(21,22)15-10-8-14(9-11-15)20-13-5-12-18-20/h3-13,19H,2H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).