N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide

C19H18N2O2S — CID 140579946

IUPACN-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-15-12-13-20-19(18(15)14-16-8-4-2-5-9-16)21-24(22,23)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,20,21)
InChIKeyFJHXMTGDOXDVNM-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.78
Rot. Bonds5

About N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide

N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 140579946) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID140579946
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-15-12-13-20-19(18(15)14-16-8-4-2-5-9-16)21-24(22,23)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,20,21)
InChIKeyFJHXMTGDOXDVNM-UHFFFAOYSA-N
XLogP3.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide (CID 140579946) is N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccccc2)c1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is FJHXMTGDOXDVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-15-12-13-20-19(18(15)14-16-8-4-2-5-9-16)21-24(22,23)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,20,21).
What are the key properties of N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide?
N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 140579946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).