4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid

C20H24N2O5S — CID 73437636

IUPAC4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C)ccc1N1CCCCC1
InChIInChI=1S/C20H24N2O5S/c1-14-6-8-17(22-10-4-3-5-11-22)16(12-14)21-28(25,26)19-13-15(20(23)24)7-9-18(19)27-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyFUPPCZKANSXYHA-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.49
Rot. Bonds6

About 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid

4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid (PubChem CID 73437636) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
PubChem CID73437636
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C)ccc1N1CCCCC1
InChIInChI=1S/C20H24N2O5S/c1-14-6-8-17(22-10-4-3-5-11-22)16(12-14)21-28(25,26)19-13-15(20(23)24)7-9-18(19)27-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyFUPPCZKANSXYHA-UHFFFAOYSA-N
XLogP3.49
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bumetanide
CID 2471
4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
4-Methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2385964
Erap2-IN-1
CID 85470736
4-Methoxy-3-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 2386064
3-[(4-Methoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5099598
4-Methoxy-3-(N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)sulfamoyl)benzoic acid
CID 4798291
2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid
CID 24825719
3-[(4-Methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1310240
4-methoxy-N-(2-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16249716
4-methoxy-N-(2-morpholin-4-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 16304714

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid (CID 73437636) is 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C)ccc1N1CCCCC1.
What is the InChIKey of 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid?
The InChIKey is FUPPCZKANSXYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14-6-8-17(22-10-4-3-5-11-22)16(12-14)21-28(25,26)19-13-15(20(23)24)7-9-18(19)27-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,23,24).
What are the key properties of 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid?
4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid has a molecular weight of 404.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 73437636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).