2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid

C14H11ClFNO4S — CID 45411146

IUPAC2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1Cl
InChIInChI=1S/C14H11ClFNO4S/c15-12-6-5-10(7-11(12)14(18)19)22(20,21)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2,(H,18,19)
InChIKeyRMDMZRIQCHRHAH-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.66
Rot. Bonds5

About 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid

2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid (PubChem CID 45411146) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
PubChem CID45411146
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Name2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1Cl
InChIInChI=1S/C14H11ClFNO4S/c15-12-6-5-10(7-11(12)14(18)19)22(20,21)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2,(H,18,19)
InChIKeyRMDMZRIQCHRHAH-UHFFFAOYSA-N
XLogP2.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 115588749
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid (CID 45411146) is 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid?
The InChIKey is RMDMZRIQCHRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c15-12-6-5-10(7-11(12)14(18)19)22(20,21)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid?
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid has a molecular weight of 343.76 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 45411146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).