2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid

C15H16N2O7S2 — CID 55676420

IUPAC2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H16N2O7S2/c1-9-7-13(18)10(15(19)20)8-14(9)26(23,24)17-12-6-4-3-5-11(12)16-25(2,21)22/h3-8,16-18H,1-2H3,(H,19,20)
InChIKeyXHUKODBTVPTSIT-UHFFFAOYSA-N
MW400.43 g/mol
LogP1.57
Rot. Bonds6

About 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid

2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid (PubChem CID 55676420) has the molecular formula C15H16N2O7S2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
PubChem CID55676420
Molecular FormulaC15H16N2O7S2
Molecular Weight400.43 g/mol
Exact Mass400.04
IUPAC Name2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H16N2O7S2/c1-9-7-13(18)10(15(19)20)8-14(9)26(23,24)17-12-6-4-3-5-11(12)16-25(2,21)22/h3-8,16-18H,1-2H3,(H,19,20)
InChIKeyXHUKODBTVPTSIT-UHFFFAOYSA-N
XLogP1.57
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
CID 55767230
2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63822246
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62268095
2-hydroxy-4-methyl-5-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61403390
2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 71439747
2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 43540191
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
5-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 38944051
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid?
The IUPAC name of 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid (CID 55676420) is 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid?
The InChIKey is XHUKODBTVPTSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O7S2/c1-9-7-13(18)10(15(19)20)8-14(9)26(23,24)17-12-6-4-3-5-11(12)16-25(2,21)22/h3-8,16-18H,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid?
2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid has a molecular weight of 400.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid is sourced from PubChem (CID 55676420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).