N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide

C10H11ClFNO3S — CID 97340008

IUPACN-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)CCO)Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H11ClFNO3S/c11-7-1-2-8(12)9(5-7)13-10(15)6-17(16)4-3-14/h1-2,5,14H,3-4,6H2,(H,13,15)/t17-/m0/s1
InChIKeyKMCLYFDPEWFHHI-KRWDZBQOSA-N
MW279.72 g/mol
LogP1.16
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide

N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide (PubChem CID 97340008) has the molecular formula C10H11ClFNO3S and a molecular weight of 279.72 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
PubChem CID97340008
Molecular FormulaC10H11ClFNO3S
Molecular Weight279.72 g/mol
Exact Mass279.01
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)CCO)Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H11ClFNO3S/c11-7-1-2-8(12)9(5-7)13-10(15)6-17(16)4-3-14/h1-2,5,14H,3-4,6H2,(H,13,15)/t17-/m0/s1
InChIKeyKMCLYFDPEWFHHI-KRWDZBQOSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61287840
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
CID 5102061
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide
CID 97225450
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
3-[2-(2-fluoroanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 60982589
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide (CID 97340008) is N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide is O=C(C[S@@](=O)CCO)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide?
The InChIKey is KMCLYFDPEWFHHI-KRWDZBQOSA-N. The full InChI is InChI=1S/C10H11ClFNO3S/c11-7-1-2-8(12)9(5-7)13-10(15)6-17(16)4-3-14/h1-2,5,14H,3-4,6H2,(H,13,15)/t17-/m0/s1.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide has a molecular weight of 279.72 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide is sourced from PubChem (CID 97340008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).