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

C14H11ClFNO3S — CID 18082595

IUPACN-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClFNO3S/c1-21(19,20)13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18)
InChIKeyHPLLXZCOTVRYPI-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.13
Rot. Bonds3

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

N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide (PubChem CID 18082595) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
PubChem CID18082595
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClFNO3S/c1-21(19,20)13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18)
InChIKeyHPLLXZCOTVRYPI-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-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
CID 7565548
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116813961
N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
CID 126188766
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976552
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide (CID 18082595) is N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide?
The InChIKey is HPLLXZCOTVRYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c1-21(19,20)13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide?
N-(5-chloro-2-fluorophenyl)-2-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)-2-methylsulfonylbenzamide is sourced from PubChem (CID 18082595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).