2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide

C21H19ClN2O3S — CID 70662079

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(-c2ccccc2)ccn1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-21(2,28(26,27)18-10-8-17(22)9-11-18)20(25)24-19-14-16(12-13-23-19)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25)
InChIKeyDMPVEQVMMAXBNM-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.59
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide (PubChem CID 70662079) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide
PubChem CID70662079
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(-c2ccccc2)ccn1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-21(2,28(26,27)18-10-8-17(22)9-11-18)20(25)24-19-14-16(12-13-23-19)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25)
InChIKeyDMPVEQVMMAXBNM-UHFFFAOYSA-N
XLogP4.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide (CID 70662079) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide is CC(C)(C(=O)Nc1cc(-c2ccccc2)ccn1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide?
The InChIKey is DMPVEQVMMAXBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-21(2,28(26,27)18-10-8-17(22)9-11-18)20(25)24-19-14-16(12-13-23-19)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide has a molecular weight of 414.91 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide is sourced from PubChem (CID 70662079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).