1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide

C21H21ClN2O2S — CID 52906761

IUPAC1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C21H21ClN2O2S/c22-21-12-5-4-10-19(21)17-27(25,26)24(16-20-11-6-7-14-23-20)15-13-18-8-2-1-3-9-18/h1-12,14H,13,15-17H2
InChIKeyWDDFDCSNCQKIRU-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.31
Rot. Bonds8

About 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 52906761) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID52906761
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C21H21ClN2O2S/c22-21-12-5-4-10-19(21)17-27(25,26)24(16-20-11-6-7-14-23-20)15-13-18-8-2-1-3-9-18/h1-12,14H,13,15-17H2
InChIKeyWDDFDCSNCQKIRU-UHFFFAOYSA-N
XLogP4.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 52906761) is 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is WDDFDCSNCQKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c22-21-12-5-4-10-19(21)17-27(25,26)24(16-20-11-6-7-14-23-20)15-13-18-8-2-1-3-9-18/h1-12,14H,13,15-17H2.
What are the key properties of 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 400.93 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 52906761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).