5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid

C19H14ClFN2O4S — CID 71170487

IUPAC5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)nc2)cc1C(=O)O
InChIInChI=1S/C19H14ClFN2O4S/c1-11-2-5-14(9-15(11)19(24)25)28(26,27)23-13-4-7-18(22-10-13)12-3-6-17(21)16(20)8-12/h2-10,23H,1H3,(H,24,25)
InChIKeyUVBNETZUIZAECQ-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.35
Rot. Bonds5

About 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid

5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (PubChem CID 71170487) has the molecular formula C19H14ClFN2O4S and a molecular weight of 420.85 g/mol. Its IUPAC name is 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
PubChem CID71170487
Molecular FormulaC19H14ClFN2O4S
Molecular Weight420.85 g/mol
Exact Mass420.03
IUPAC Name5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)nc2)cc1C(=O)O
InChIInChI=1S/C19H14ClFN2O4S/c1-11-2-5-14(9-15(11)19(24)25)28(26,27)23-13-4-7-18(22-10-13)12-3-6-17(21)16(20)8-12/h2-10,23H,1H3,(H,24,25)
InChIKeyUVBNETZUIZAECQ-UHFFFAOYSA-N
XLogP4.35
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 69440425
5-[[6-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 71170716
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
CID 5017065
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102
6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61317579
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
CID 103962654
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (CID 71170487) is 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)nc2)cc1C(=O)O.
What is the InChIKey of 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The InChIKey is UVBNETZUIZAECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4S/c1-11-2-5-14(9-15(11)19(24)25)28(26,27)23-13-4-7-18(22-10-13)12-3-6-17(21)16(20)8-12/h2-10,23H,1H3,(H,24,25).
What are the key properties of 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid has a molecular weight of 420.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 71170487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).