N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide

C23H24N4O3S — CID 50795474

IUPACN-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
SMILESCN(c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-25(31(29,30)22-10-6-3-7-11-22)21-16-19(17-24-18-21)23(28)27-14-12-26(13-15-27)20-8-4-2-5-9-20/h2-11,16-18H,12-15H2,1H3
InChIKeyMPVIXJICOKNYGY-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide

N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 50795474) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
PubChem CID50795474
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
SMILESCN(c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-25(31(29,30)22-10-6-3-7-11-22)21-16-19(17-24-18-21)23(28)27-14-12-26(13-15-27)20-8-4-2-5-9-20/h2-11,16-18H,12-15H2,1H3
InChIKeyMPVIXJICOKNYGY-UHFFFAOYSA-N
XLogP2.87
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide
CID 50795476
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 100787738
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55918017
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide (CID 50795474) is N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide is CN(c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is MPVIXJICOKNYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-25(31(29,30)22-10-6-3-7-11-22)21-16-19(17-24-18-21)23(28)27-14-12-26(13-15-27)20-8-4-2-5-9-20/h2-11,16-18H,12-15H2,1H3.
What are the key properties of N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 50795474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).