3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid

C15H12ClF2NO4S — CID 9160242

IUPAC3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H12ClF2NO4S/c16-11-2-1-3-12(17)10(11)6-7-19-24(22,23)14-8-9(15(20)21)4-5-13(14)18/h1-5,8,19H,6-7H2,(H,20,21)
InChIKeyBRYVXXDUUAGOOW-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.84
Rot. Bonds6

About 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid

3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid (PubChem CID 9160242) has the molecular formula C15H12ClF2NO4S and a molecular weight of 375.78 g/mol. Its IUPAC name is 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid
PubChem CID9160242
Molecular FormulaC15H12ClF2NO4S
Molecular Weight375.78 g/mol
Exact Mass375.01
IUPAC Name3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H12ClF2NO4S/c16-11-2-1-3-12(17)10(11)6-7-19-24(22,23)14-8-9(15(20)21)4-5-13(14)18/h1-5,8,19H,6-7H2,(H,20,21)
InChIKeyBRYVXXDUUAGOOW-UHFFFAOYSA-N
XLogP2.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3490945
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
3-[3-(ethylamino)propylsulfamoyl]-4-fluorobenzoic acid
CID 61403638
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
3-(2-carboxyethylsulfamoyl)-4-chlorobenzoic acid
CID 2100657
3-[(3-bromophenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160148
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
4-fluoro-3-(2-prop-2-enylsulfanylethylsulfamoyl)benzoic acid
CID 106426830
4-fluoro-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 30056496
4-chloro-3-(pent-4-ynylsulfamoyl)benzoic acid
CID 114159893

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid?
The IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid (CID 9160242) is 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid?
The canonical SMILES for 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(S(=O)(=O)NCCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid?
The InChIKey is BRYVXXDUUAGOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO4S/c16-11-2-1-3-12(17)10(11)6-7-19-24(22,23)14-8-9(15(20)21)4-5-13(14)18/h1-5,8,19H,6-7H2,(H,20,21).
What are the key properties of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid?
3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid has a molecular weight of 375.78 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid is sourced from PubChem (CID 9160242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).