N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide

C18H21ClN2O2S — CID 2729535

IUPACN-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2S/c19-16-6-8-18(9-7-16)24(22,23)20-17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17,20H,10-14H2
InChIKeyYGKGQJPCGJXQCW-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.28
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide (PubChem CID 2729535) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide
PubChem CID2729535
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2S/c19-16-6-8-18(9-7-16)24(22,23)20-17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17,20H,10-14H2
InChIKeyYGKGQJPCGJXQCW-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide (CID 2729535) is N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide?
The InChIKey is YGKGQJPCGJXQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c19-16-6-8-18(9-7-16)24(22,23)20-17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17,20H,10-14H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide has a molecular weight of 364.90 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2729535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).