2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide

C15H13ClFNO2S — CID 95169102

IUPAC2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(C[S@](=O)Cc1cccc(Cl)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H13ClFNO2S/c16-12-4-1-3-11(7-12)9-21(20)10-15(19)18-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19)/t21-/m1/s1
InChIKeyKJKDNXBGTRQASW-OAQYLSRUSA-N
MW325.79 g/mol
LogP3.37
Rot. Bonds5

About 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide

2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide (PubChem CID 95169102) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
PubChem CID95169102
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC Name2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(C[S@](=O)Cc1cccc(Cl)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H13ClFNO2S/c16-12-4-1-3-11(7-12)9-21(20)10-15(19)18-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19)/t21-/m1/s1
InChIKeyKJKDNXBGTRQASW-OAQYLSRUSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
CID 95169344
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
1-(3-chlorophenyl)-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea
CID 9480319
2-(2-aminopropylsulfinyl)-N-(3-chlorophenyl)acetamide
CID 81188971
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
2-(3-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 71283134
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide
CID 56827603
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide (CID 95169102) is 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide is O=C(C[S@](=O)Cc1cccc(Cl)c1)Nc1cccc(F)c1.
What is the InChIKey of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is KJKDNXBGTRQASW-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c16-12-4-1-3-11(7-12)9-21(20)10-15(19)18-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19)/t21-/m1/s1.
What are the key properties of 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide?
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 325.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 95169102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).