N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide

C22H20N4O2S — CID 10111849

IUPACN-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1
InChIInChI=1S/C22H20N4O2S/c1-16-7-13-19(14-8-16)26-22(23)15-21(24-26)17-9-11-18(12-10-17)25-29(27,28)20-5-3-2-4-6-20/h2-15,25H,23H2,1H3
InChIKeyRMYHYDABGVQXCU-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.23
Rot. Bonds5

About N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide

N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide (PubChem CID 10111849) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide
PubChem CID10111849
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1
InChIInChI=1S/C22H20N4O2S/c1-16-7-13-19(14-8-16)26-22(23)15-21(24-26)17-9-11-18(12-10-17)25-29(27,28)20-5-3-2-4-6-20/h2-15,25H,23H2,1H3
InChIKeyRMYHYDABGVQXCU-UHFFFAOYSA-N
XLogP4.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide (CID 10111849) is N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide is Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1.
What is the InChIKey of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide?
The InChIKey is RMYHYDABGVQXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-16-7-13-19(14-8-16)26-22(23)15-21(24-26)17-9-11-18(12-10-17)25-29(27,28)20-5-3-2-4-6-20/h2-15,25H,23H2,1H3.
What are the key properties of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide?
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10111849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).