3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide

C15H15ClN2O3S — CID 47037109

IUPAC3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H15ClN2O3S/c1-22(20,21)15-9-7-13(10-17-15)18-14(19)8-4-11-2-5-12(16)6-3-11/h2-3,5-7,9-10H,4,8H2,1H3,(H,18,19)
InChIKeyCDFVNAUIDHMBMI-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.71
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide

3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide (PubChem CID 47037109) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
PubChem CID47037109
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H15ClN2O3S/c1-22(20,21)15-9-7-13(10-17-15)18-14(19)8-4-11-2-5-12(16)6-3-11/h2-3,5-7,9-10H,4,8H2,1H3,(H,18,19)
InChIKeyCDFVNAUIDHMBMI-UHFFFAOYSA-N
XLogP2.71
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
5-hydroxy-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
CID 79199124
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329211
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 81075258
2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 103763941
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide (CID 47037109) is 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide is CS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide?
The InChIKey is CDFVNAUIDHMBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-22(20,21)15-9-7-13(10-17-15)18-14(19)8-4-11-2-5-12(16)6-3-11/h2-3,5-7,9-10H,4,8H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide?
3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide has a molecular weight of 338.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide is sourced from PubChem (CID 47037109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).