5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid

C12H10ClN3O4S — CID 82874958

IUPAC5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C12H10ClN3O4S/c1-7-9(11(17)18)5-8(13)6-10(7)21(19,20)16-12-14-3-2-4-15-12/h2-6H,1H3,(H,17,18)(H,14,15,16)
InChIKeyUFVKNCSEQHVWGR-UHFFFAOYSA-N
MW327.75 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid

5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid (PubChem CID 82874958) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid
PubChem CID82874958
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC Name5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C12H10ClN3O4S/c1-7-9(11(17)18)5-8(13)6-10(7)21(19,20)16-12-14-3-2-4-15-12/h2-6H,1H3,(H,17,18)(H,14,15,16)
InChIKeyUFVKNCSEQHVWGR-UHFFFAOYSA-N
XLogP1.94
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82890326
5-chloro-2-methyl-3-(prop-2-ynylsulfamoyl)benzoic acid
CID 82883031
5-chloro-2-methyl-3-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 82813853
5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid
CID 167946559
5-chloro-2-methyl-3-(2-methylpropoxysulfamoyl)benzoic acid
CID 82890604
5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 166190147
3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
5-chloro-3-(hex-1-yn-3-ylsulfamoyl)-2-methylbenzoic acid
CID 106224311
5-chloro-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]benzoic acid
CID 115943007
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
5-chloro-2-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 82875290
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid (CID 82874958) is 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid is Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid?
The InChIKey is UFVKNCSEQHVWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c1-7-9(11(17)18)5-8(13)6-10(7)21(19,20)16-12-14-3-2-4-15-12/h2-6H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid?
5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid has a molecular weight of 327.75 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 82874958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).