3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid

C19H20N2O5S — CID 22109123

IUPAC3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C
InChIInChI=1S/C19H20N2O5S/c1-11-8-14(19(23)24)10-17(12(11)2)27(25,26)21-16-5-3-4-13(9-16)18(22)20-15-6-7-15/h3-5,8-10,15,21H,6-7H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyFGDYNNUNQZTWSA-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.69
Rot. Bonds6

About 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid

3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid (PubChem CID 22109123) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
PubChem CID22109123
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C
InChIInChI=1S/C19H20N2O5S/c1-11-8-14(19(23)24)10-17(12(11)2)27(25,26)21-16-5-3-4-13(9-16)18(22)20-15-6-7-15/h3-5,8-10,15,21H,6-7H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyFGDYNNUNQZTWSA-UHFFFAOYSA-N
XLogP2.69
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
CID 119428239
N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide
CID 26489644
3,4-dimethyl-5-[(3-nitrophenyl)sulfamoyl]benzoic acid
CID 886334
N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide
CID 40688024
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
CID 50875246
3-[[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 24654087
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide
CID 24610123

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid?
The IUPAC name of 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid (CID 22109123) is 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid.
What is the SMILES notation for 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid?
The canonical SMILES for 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C.
What is the InChIKey of 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid?
The InChIKey is FGDYNNUNQZTWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-11-8-14(19(23)24)10-17(12(11)2)27(25,26)21-16-5-3-4-13(9-16)18(22)20-15-6-7-15/h3-5,8-10,15,21H,6-7H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid?
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid has a molecular weight of 388.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid is sourced from PubChem (CID 22109123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).