N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide

C19H18N2O2S — CID 56650616

IUPACN-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1cnccc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-14-12-16(21-24(2,22)23)8-9-17(14)19-13-20-11-10-18(19)15-6-4-3-5-7-15/h3-13,21H,1-2H3
InChIKeySGTXZSHCYFQAHH-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.10
Rot. Bonds4

About N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide

N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide (PubChem CID 56650616) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide
PubChem CID56650616
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1cnccc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-14-12-16(21-24(2,22)23)8-9-17(14)19-13-20-11-10-18(19)15-6-4-3-5-7-15/h3-13,21H,1-2H3
InChIKeySGTXZSHCYFQAHH-UHFFFAOYSA-N
XLogP4.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide (CID 56650616) is N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1-c1ccccc1.
What is the InChIKey of N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is SGTXZSHCYFQAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-12-16(21-24(2,22)23)8-9-17(14)19-13-20-11-10-18(19)15-6-4-3-5-7-15/h3-13,21H,1-2H3.
What are the key properties of N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 56650616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).