N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

C19H24N2O4S2 — CID 3184659

IUPACN-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-16-11-13-21(14-12-16)27(24,25)19-9-7-18(8-10-19)26(22,23)20-15-17-5-3-2-4-6-17/h2-10,16,20H,11-15H2,1H3
InChIKeyTWWKAOCQWCMJJN-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.59
Rot. Bonds6

About N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 3184659) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID3184659
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-16-11-13-21(14-12-16)27(24,25)19-9-7-18(8-10-19)26(22,23)20-15-17-5-3-2-4-6-17/h2-10,16,20H,11-15H2,1H3
InChIKeyTWWKAOCQWCMJJN-UHFFFAOYSA-N
XLogP2.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 3184659) is N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1.
What is the InChIKey of N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is TWWKAOCQWCMJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-16-11-13-21(14-12-16)27(24,25)19-9-7-18(8-10-19)26(22,23)20-15-17-5-3-2-4-6-17/h2-10,16,20H,11-15H2,1H3.
What are the key properties of N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 3184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).