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

C21H20N2O4S — CID 69440425

IUPAC5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCCc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cn2)cc1
InChIInChI=1S/C21H20N2O4S/c1-3-15-5-7-16(8-6-15)20-11-9-17(13-22-20)23-28(26,27)18-10-4-14(2)19(12-18)21(24)25/h4-13,23H,3H2,1-2H3,(H,24,25)
InChIKeyBUSONLINARWXCO-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.12
Rot. Bonds6

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

5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (PubChem CID 69440425) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
PubChem CID69440425
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCCc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cn2)cc1
InChIInChI=1S/C21H20N2O4S/c1-3-15-5-7-16(8-6-15)20-11-9-17(13-22-20)23-28(26,27)18-10-4-14(2)19(12-18)21(24)25/h4-13,23H,3H2,1-2H3,(H,24,25)
InChIKeyBUSONLINARWXCO-UHFFFAOYSA-N
XLogP4.12
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 71170487
5-[[6-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 71170716
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
CID 154746500
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
methyl 5-[[6-[(3,4-difluorophenyl)methylsulfanyl]-3-pyridinyl]sulfamoyl]-2-methylbenzoate
CID 143522381
2-methyl-5-[[4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]phenyl]sulfamoyl]benzoic acid
CID 58937146

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (CID 69440425) is 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is CCc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cn2)cc1.
What is the InChIKey of 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The InChIKey is BUSONLINARWXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-3-15-5-7-16(8-6-15)20-11-9-17(13-22-20)23-28(26,27)18-10-4-14(2)19(12-18)21(24)25/h4-13,23H,3H2,1-2H3,(H,24,25).
What are the key properties of 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid has a molecular weight of 396.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 69440425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).