4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C12H15N3O3S — CID 54895795

IUPAC4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-18-11-3-5-12(6-4-11)19(16,17)15-9-10-7-13-14-8-10/h3-8,15H,2,9H2,1H3,(H,13,14)
InChIKeyWSZDDNABANPRJQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.29
Rot. Bonds6

About 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 54895795) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID54895795
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-18-11-3-5-12(6-4-11)19(16,17)15-9-10-7-13-14-8-10/h3-8,15H,2,9H2,1H3,(H,13,14)
InChIKeyWSZDDNABANPRJQ-UHFFFAOYSA-N
XLogP1.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
5-ethyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-sulfonamide
CID 54947112
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 54895795) is 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is WSZDDNABANPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-18-11-3-5-12(6-4-11)19(16,17)15-9-10-7-13-14-8-10/h3-8,15H,2,9H2,1H3,(H,13,14).
What are the key properties of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54895795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).