4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

C23H20N4O4S — CID 155519702

IUPAC4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C23H20N4O4S/c1-31-21-13-11-20(12-14-21)27-16-19(15-24-27)25-23(28)17-7-9-18(10-8-17)26-32(29,30)22-5-3-2-4-6-22/h2-16,26H,1H3,(H,25,28)
InChIKeyTYDKRSFWPKMOFI-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.93
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (PubChem CID 155519702) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
PubChem CID155519702
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C23H20N4O4S/c1-31-21-13-11-20(12-14-21)27-16-19(15-24-27)25-23(28)17-7-9-18(10-8-17)26-32(29,30)22-5-3-2-4-6-22/h2-16,26H,1H3,(H,25,28)
InChIKeyTYDKRSFWPKMOFI-UHFFFAOYSA-N
XLogP3.93
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (CID 155519702) is 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is COc1ccc(-n2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cn2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The InChIKey is TYDKRSFWPKMOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-31-21-13-11-20(12-14-21)27-16-19(15-24-27)25-23(28)17-7-9-18(10-8-17)26-32(29,30)22-5-3-2-4-6-22/h2-16,26H,1H3,(H,25,28).
What are the key properties of 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide has a molecular weight of 448.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 155519702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).