4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide

C18H19N3O3S — CID 19355888

IUPAC4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1cc(-c2ccc(OC)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H19N3O3S/c1-3-21-12-17(13-4-8-15(24-2)9-5-13)18(20-21)14-6-10-16(11-7-14)25(19,22)23/h4-12H,3H2,1-2H3,(H2,19,22,23)
InChIKeyDUDHCYHFPQVQGO-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.89
Rot. Bonds5

About 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide

4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355888) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355888
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1cc(-c2ccc(OC)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H19N3O3S/c1-3-21-12-17(13-4-8-15(24-2)9-5-13)18(20-21)14-6-10-16(11-7-14)25(19,22)23/h4-12H,3H2,1-2H3,(H2,19,22,23)
InChIKeyDUDHCYHFPQVQGO-UHFFFAOYSA-N
XLogP2.89
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
CID 19355339
2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
CID 18914552
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723308
4-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 54036831
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide
CID 70188034
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide
CID 19963383
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275535
1-ethyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde
CID 61264154
N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
CID 22505629

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide (CID 19355888) is 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide is CCn1cc(-c2ccc(OC)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is DUDHCYHFPQVQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-21-12-17(13-4-8-15(24-2)9-5-13)18(20-21)14-6-10-16(11-7-14)25(19,22)23/h4-12H,3H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide?
4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).