N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

C24H25N3O3S — CID 2715498

IUPACN-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-25(21-8-4-2-5-9-21)31(29,30)23-14-12-20(13-15-23)24(28)27-18-16-26(17-19-27)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChIKeyALUARKNOGJABLF-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 2715498) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID2715498
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-25(21-8-4-2-5-9-21)31(29,30)23-14-12-20(13-15-23)24(28)27-18-16-26(17-19-27)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChIKeyALUARKNOGJABLF-UHFFFAOYSA-N
XLogP3.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55918017
N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 50795474
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
N,4-dimethyl-N-[4-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55780841
N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 100787738
N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31565674
N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (CID 2715498) is N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is ALUARKNOGJABLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-25(21-8-4-2-5-9-21)31(29,30)23-14-12-20(13-15-23)24(28)27-18-16-26(17-19-27)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3.
What are the key properties of N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2715498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).