4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide

C14H11ClFNO4S — CID 66767262

IUPAC4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClFNO4S/c1-22(19,20)17-14(18)9-2-4-10(5-3-9)21-11-6-7-13(16)12(15)8-11/h2-8H,1H3,(H,17,18)
InChIKeyPOTWDSDZRGHBJX-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.96
Rot. Bonds4

About 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide

4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide (PubChem CID 66767262) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
PubChem CID66767262
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Name4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClFNO4S/c1-22(19,20)17-14(18)9-2-4-10(5-3-9)21-11-6-7-13(16)12(15)8-11/h2-8H,1H3,(H,17,18)
InChIKeyPOTWDSDZRGHBJX-UHFFFAOYSA-N
XLogP2.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
CID 66767279
N-methylsulfonyl-4-naphthalen-2-yloxybenzamide
CID 66767288
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide
CID 71626628
4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
CID 177371105
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
CID 146154870
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide (CID 66767262) is 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide?
The InChIKey is POTWDSDZRGHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c1-22(19,20)17-14(18)9-2-4-10(5-3-9)21-11-6-7-13(16)12(15)8-11/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide?
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide has a molecular weight of 343.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide is sourced from PubChem (CID 66767262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).