N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C23H24N4O3S — CID 5175765

IUPACN-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-18-6-2-3-7-21(18)25-31(29,30)20-11-9-19(10-12-20)23(28)27-16-14-26(15-17-27)22-8-4-5-13-24-22/h2-13,25H,14-17H2,1H3
InChIKeyUALITRCKINVZHS-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.15
Rot. Bonds5

About N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 5175765) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID5175765
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-18-6-2-3-7-21(18)25-31(29,30)20-11-9-19(10-12-20)23(28)27-16-14-26(15-17-27)22-8-4-5-13-24-22/h2-13,25H,14-17H2,1H3
InChIKeyUALITRCKINVZHS-UHFFFAOYSA-N
XLogP3.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 5175765) is N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is UALITRCKINVZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-18-6-2-3-7-21(18)25-31(29,30)20-11-9-19(10-12-20)23(28)27-16-14-26(15-17-27)22-8-4-5-13-24-22/h2-13,25H,14-17H2,1H3.
What are the key properties of N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 5175765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).