2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid

C12H12N2O5S2 — CID 61044195

IUPAC2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
SMILESCc1csc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n1
InChIInChI=1S/C12H12N2O5S2/c1-7-6-20-11(14-7)5-13-21(18,19)8-2-3-10(15)9(4-8)12(16)17/h2-4,6,13,15H,5H2,1H3,(H,16,17)
InChIKeyDMCDMAGOXLDOPR-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.33
Rot. Bonds5

About 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid

2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid (PubChem CID 61044195) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
PubChem CID61044195
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
SMILESCc1csc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n1
InChIInChI=1S/C12H12N2O5S2/c1-7-6-20-11(14-7)5-13-21(18,19)8-2-3-10(15)9(4-8)12(16)17/h2-4,6,13,15H,5H2,1H3,(H,16,17)
InChIKeyDMCDMAGOXLDOPR-UHFFFAOYSA-N
XLogP1.33
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 107089983
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47017062
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 106370356
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 47017076
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 79177671
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158645

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid (CID 61044195) is 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid is Cc1csc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n1.
What is the InChIKey of 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
The InChIKey is DMCDMAGOXLDOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-7-6-20-11(14-7)5-13-21(18,19)8-2-3-10(15)9(4-8)12(16)17/h2-4,6,13,15H,5H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 61044195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).