N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide

C26H27N3O5S — CID 2928869

IUPACN-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-27(35(31,32)23-5-3-2-4-6-23)22-10-8-21(9-11-22)26(30)29-15-13-28(14-16-29)18-20-7-12-24-25(17-20)34-19-33-24/h2-12,17H,13-16,18-19H2,1H3
InChIKeyAOGRZMGALHMJRQ-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.20
Rot. Bonds6

About N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide

N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 2928869) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID2928869
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-27(35(31,32)23-5-3-2-4-6-23)22-10-8-21(9-11-22)26(30)29-15-13-28(14-16-29)18-20-7-12-24-25(17-20)34-19-33-24/h2-12,17H,13-16,18-19H2,1H3
InChIKeyAOGRZMGALHMJRQ-UHFFFAOYSA-N
XLogP3.20
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1245700
CID 1245700
CID 647876
CID 647876
CID 10414511
CID 10414511
CID 5308996
CID 5308996
CID 4850860
CID 4850860
CID 129597846
CID 129597846
CID 646586
CID 646586
CID 652011
CID 652011
CID 660185
CID 660185
CID 1017311
CID 1017311
CID 1055931
CID 1055931
CID 1247497
CID 1247497

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide (CID 2928869) is N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide is CN(c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is AOGRZMGALHMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-27(35(31,32)23-5-3-2-4-6-23)22-10-8-21(9-11-22)26(30)29-15-13-28(14-16-29)18-20-7-12-24-25(17-20)34-19-33-24/h2-12,17H,13-16,18-19H2,1H3.
What are the key properties of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 2928869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).