1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide

C20H20N4O3S — CID 164618504

IUPAC1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1
InChIInChI=1S/C20H20N4O3S/c1-21-20(25)18-13-22-24(19(18)14-10-11-14)16-7-5-6-15(12-16)23-28(26,27)17-8-3-2-4-9-17/h2-9,12-14,23H,10-11H2,1H3,(H,21,25)
InChIKeyWDOCTVVNWLKHON-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.91
Rot. Bonds6

About 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide

1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide (PubChem CID 164618504) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide
PubChem CID164618504
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1
InChIInChI=1S/C20H20N4O3S/c1-21-20(25)18-13-22-24(19(18)14-10-11-14)16-7-5-6-15(12-16)23-28(26,27)17-8-3-2-4-9-17/h2-9,12-14,23H,10-11H2,1H3,(H,21,25)
InChIKeyWDOCTVVNWLKHON-UHFFFAOYSA-N
XLogP2.91
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide (CID 164618504) is 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide is CNC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1.
What is the InChIKey of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide?
The InChIKey is WDOCTVVNWLKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-21-20(25)18-13-22-24(19(18)14-10-11-14)16-7-5-6-15(12-16)23-28(26,27)17-8-3-2-4-9-17/h2-9,12-14,23H,10-11H2,1H3,(H,21,25).
What are the key properties of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide?
1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropyl-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 164618504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).