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

C23H24N4O3S — CID 4118105

IUPACN-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C23H24N4O3S/c1-18-5-9-20(10-6-18)25-31(29,30)21-11-7-19(8-12-21)23(28)27-16-14-26(15-17-27)22-4-2-3-13-24-22/h2-13,25H,14-17H2,1H3
InChIKeyNVMAHBYMLFZVBU-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.15
Rot. Bonds5

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

N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 4118105) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID4118105
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C23H24N4O3S/c1-18-5-9-20(10-6-18)25-31(29,30)21-11-7-19(8-12-21)23(28)27-16-14-26(15-17-27)22-4-2-3-13-24-22/h2-13,25H,14-17H2,1H3
InChIKeyNVMAHBYMLFZVBU-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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Related Compounds

N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55616731
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921
N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255857
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255853
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 30832859
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55349862

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 4118105) is N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is NVMAHBYMLFZVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-18-5-9-20(10-6-18)25-31(29,30)21-11-7-19(8-12-21)23(28)27-16-14-26(15-17-27)22-4-2-3-13-24-22/h2-13,25H,14-17H2,1H3.
What are the key properties of N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-(4-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-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4118105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).