N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide

C20H25ClN2O3S — CID 16887821

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O3S/c1-26-19-8-7-18(21)13-20(19)27(24,25)22-14-16-9-11-23(12-10-16)15-17-5-3-2-4-6-17/h2-8,13,16,22H,9-12,14-15H2,1H3
InChIKeySVXFUTCZEHYCMH-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.54
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 16887821) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide
PubChem CID16887821
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O3S/c1-26-19-8-7-18(21)13-20(19)27(24,25)22-14-16-9-11-23(12-10-16)15-17-5-3-2-4-6-17/h2-8,13,16,22H,9-12,14-15H2,1H3
InChIKeySVXFUTCZEHYCMH-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide 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-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide (CID 16887821) is N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is SVXFUTCZEHYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-26-19-8-7-18(21)13-20(19)27(24,25)22-14-16-9-11-23(12-10-16)15-17-5-3-2-4-6-17/h2-8,13,16,22H,9-12,14-15H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 408.95 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 16887821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).