N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide

C14H11ClFNO2S — CID 51191615

IUPACN-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClFNO2S/c1-20(19)11-5-2-9(3-6-11)14(18)17-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyKSBIRFRSJXDVPW-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.47
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide

N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide (PubChem CID 51191615) has the molecular formula C14H11ClFNO2S and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
PubChem CID51191615
Molecular FormulaC14H11ClFNO2S
Molecular Weight311.77 g/mol
Exact Mass311.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClFNO2S/c1-20(19)11-5-2-9(3-6-11)14(18)17-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyKSBIRFRSJXDVPW-UHFFFAOYSA-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

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CID 43386528
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N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
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4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
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N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
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4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
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CID 82875366
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CID 109050037

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide (CID 51191615) is N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide is CS(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide?
The InChIKey is KSBIRFRSJXDVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2S/c1-20(19)11-5-2-9(3-6-11)14(18)17-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide?
N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide 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-4-fluorophenyl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 51191615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).