4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide

C23H20ClN3O3S — CID 10695000

IUPAC4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(COCc3ccccc3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClN3O3S/c24-19-8-6-18(7-9-19)23-14-20(16-30-15-17-4-2-1-3-5-17)26-27(23)21-10-12-22(13-11-21)31(25,28)29/h1-14H,15-16H2,(H2,25,28,29)
InChIKeyPGNOVUUBOKHCPT-UHFFFAOYSA-N
MW453.95 g/mol
LogP4.56
Rot. Bonds7

About 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10695000) has the molecular formula C23H20ClN3O3S and a molecular weight of 453.95 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10695000
Molecular FormulaC23H20ClN3O3S
Molecular Weight453.95 g/mol
Exact Mass453.09
IUPAC Name4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(COCc3ccccc3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClN3O3S/c24-19-8-6-18(7-9-19)23-14-20(16-30-15-17-4-2-1-3-5-17)26-27(23)21-10-12-22(13-11-21)31(25,28)29/h1-14H,15-16H2,(H2,25,28,29)
InChIKeyPGNOVUUBOKHCPT-UHFFFAOYSA-N
XLogP4.56
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide (CID 10695000) is 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(COCc3ccccc3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is PGNOVUUBOKHCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S/c24-19-8-6-18(7-9-19)23-14-20(16-30-15-17-4-2-1-3-5-17)26-27(23)21-10-12-22(13-11-21)31(25,28)29/h1-14H,15-16H2,(H2,25,28,29).
What are the key properties of 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 453.95 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(phenylmethoxymethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10695000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).