2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide

C16H16ClNO3S2 — CID 134037936

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H16ClNO3S2/c1-11(22-13-9-7-12(17)8-10-13)16(19)18-14-5-3-4-6-15(14)23(2,20)21/h3-11H,1-2H3,(H,18,19)
InChIKeyDANATMYLJVDXDE-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide (PubChem CID 134037936) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
PubChem CID134037936
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H16ClNO3S2/c1-11(22-13-9-7-12(17)8-10-13)16(19)18-14-5-3-4-6-15(14)23(2,20)21/h3-11H,1-2H3,(H,18,19)
InChIKeyDANATMYLJVDXDE-UHFFFAOYSA-N
XLogP3.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 86929881
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55873514
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide (CID 134037936) is 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide?
The InChIKey is DANATMYLJVDXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c1-11(22-13-9-7-12(17)8-10-13)16(19)18-14-5-3-4-6-15(14)23(2,20)21/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide has a molecular weight of 369.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 134037936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).