N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide

C25H27N3O3S — CID 1006844

IUPACN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide
SMILESCN1CCN(C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O3S/c1-26-16-18-27(19-17-26)25(29)22-14-12-21(13-15-22)20-28(23-8-4-2-5-9-23)32(30,31)24-10-6-3-7-11-24/h2-15H,16-20H2,1H3
InChIKeyXEUFRASSRWPSAQ-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.47
Rot. Bonds6

About N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide (PubChem CID 1006844) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide
PubChem CID1006844
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide
SMILESCN1CCN(C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O3S/c1-26-16-18-27(19-17-26)25(29)22-14-12-21(13-15-22)20-28(23-8-4-2-5-9-23)32(30,31)24-10-6-3-7-11-24/h2-15H,16-20H2,1H3
InChIKeyXEUFRASSRWPSAQ-UHFFFAOYSA-N
XLogP3.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide (CID 1006844) is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide is CN1CCN(C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide?
The InChIKey is XEUFRASSRWPSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-26-16-18-27(19-17-26)25(29)22-14-12-21(13-15-22)20-28(23-8-4-2-5-9-23)32(30,31)24-10-6-3-7-11-24/h2-15H,16-20H2,1H3.
What are the key properties of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide?
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1006844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).