2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide

C15H14ClNO4S2 — CID 71283350

IUPAC2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO4S2/c1-23(20,21)14-7-5-12(6-8-14)17-15(18)10-22(19)13-4-2-3-11(16)9-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyVLWWCBPCPFXKNC-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.49
Rot. Bonds5

About 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide

2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 71283350) has the molecular formula C15H14ClNO4S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide
PubChem CID71283350
Molecular FormulaC15H14ClNO4S2
Molecular Weight371.87 g/mol
Exact Mass371.01
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO4S2/c1-23(20,21)14-7-5-12(6-8-14)17-15(18)10-22(19)13-4-2-3-11(16)9-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyVLWWCBPCPFXKNC-UHFFFAOYSA-N
XLogP2.49
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 71283134
2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 71283389
2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
CID 64691051
N-(2-chlorophenyl)-2-[(S)-(3-chlorophenyl)sulfinyl]acetamide
CID 40520627
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
[2-(4-methylsulfonylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 41174699
propan-2-yl 2-(3-chlorophenyl)sulfinylacetate
CID 62647010
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)ethane-1,2-dione
CID 18463772
N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
CID 34213478

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide (CID 71283350) is 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CS(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is VLWWCBPCPFXKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S2/c1-23(20,21)14-7-5-12(6-8-14)17-15(18)10-22(19)13-4-2-3-11(16)9-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide?
2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 371.87 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 71283350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).