N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide

C14H11ClFNO3S — CID 51149042

IUPACN-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H11ClFNO3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-8-10(15)5-6-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyUYRMJJONCISBMV-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.13
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide

N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide (PubChem CID 51149042) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
PubChem CID51149042
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H11ClFNO3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-8-10(15)5-6-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyUYRMJJONCISBMV-UHFFFAOYSA-N
XLogP3.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
tert-butyl N-[4-fluoro-3-[(3-methylsulfonylbenzoyl)amino]phenyl]carbamate
CID 137353839
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 62234738
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide (CID 51149042) is N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide?
The InChIKey is UYRMJJONCISBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-8-10(15)5-6-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide?
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide has a molecular weight of 327.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 51149042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).