5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid

C17H16ClN3O5S — CID 166190147

IUPAC5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H16ClN3O5S/c1-10-14(16(22)23)8-11(18)9-15(10)27(25,26)20-12-2-4-13(5-3-12)21-7-6-19-17(21)24/h2-5,8-9,20H,6-7H2,1H3,(H,19,24)(H,22,23)
InChIKeyYWCKSPCKBTVLSL-UHFFFAOYSA-N
MW409.85 g/mol
LogP2.68
Rot. Bonds5

About 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid

5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 166190147) has the molecular formula C17H16ClN3O5S and a molecular weight of 409.85 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID166190147
Molecular FormulaC17H16ClN3O5S
Molecular Weight409.85 g/mol
Exact Mass409.05
IUPAC Name5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H16ClN3O5S/c1-10-14(16(22)23)8-11(18)9-15(10)27(25,26)20-12-2-4-13(5-3-12)21-7-6-19-17(21)24/h2-5,8-9,20H,6-7H2,1H3,(H,19,24)(H,22,23)
InChIKeyYWCKSPCKBTVLSL-UHFFFAOYSA-N
XLogP2.68
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
5-chloro-2-methyl-3-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 82813853
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 82890326
5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 82874958
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666784
2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
1-(3-chlorophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 110874868
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 71102161
5-chloro-2-methyl-3-thiomorpholin-4-ylsulfonylbenzoic acid
CID 82883111
N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 60707214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid (CID 166190147) is 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid is Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is YWCKSPCKBTVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5S/c1-10-14(16(22)23)8-11(18)9-15(10)27(25,26)20-12-2-4-13(5-3-12)21-7-6-19-17(21)24/h2-5,8-9,20H,6-7H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid?
5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 409.85 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 166190147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).