N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide

C14H11ClFNO2S — CID 95786792

IUPACN-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide
SMILESC[S@](=O)c1c(Cl)cccc1NC(=O)c1ccccc1F
InChIInChI=1S/C14H11ClFNO2S/c1-20(19)13-10(15)6-4-8-12(13)17-14(18)9-5-2-3-7-11(9)16/h2-8H,1H3,(H,17,18)/t20-/m0/s1
InChIKeyYWEILWQPSDOACD-FQEVSTJZSA-N
MW311.77 g/mol
LogP3.47
Rot. Bonds3

About N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide

N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide (PubChem CID 95786792) has the molecular formula C14H11ClFNO2S and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide
PubChem CID95786792
Molecular FormulaC14H11ClFNO2S
Molecular Weight311.77 g/mol
Exact Mass311.02
IUPAC NameN-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide
SMILESC[S@](=O)c1c(Cl)cccc1NC(=O)c1ccccc1F
InChIInChI=1S/C14H11ClFNO2S/c1-20(19)13-10(15)6-4-8-12(13)17-14(18)9-5-2-3-7-11(9)16/h2-8H,1H3,(H,17,18)/t20-/m0/s1
InChIKeyYWEILWQPSDOACD-FQEVSTJZSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
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N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
(E)-N-(3-chloro-2-methylsulfinylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75534101
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 94831737
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide (CID 95786792) is N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide is C[S@](=O)c1c(Cl)cccc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide?
The InChIKey is YWEILWQPSDOACD-FQEVSTJZSA-N. The full InChI is InChI=1S/C14H11ClFNO2S/c1-20(19)13-10(15)6-4-8-12(13)17-14(18)9-5-2-3-7-11(9)16/h2-8H,1H3,(H,17,18)/t20-/m0/s1.
What are the key properties of N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide?
N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide has a molecular weight of 311.77 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 95786792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).