2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H13NO5S — CID 60791259

IUPAC2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C12H13NO5S/c1-19(17,18)8-4-2-3-7(5-8)13-11(14)9-6-10(9)12(15)16/h2-5,9-10H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWBEUJILGPYBQPS-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.75
Rot. Bonds4

About 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60791259) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60791259
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC Name2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C12H13NO5S/c1-19(17,18)8-4-2-3-7(5-8)13-11(14)9-6-10(9)12(15)16/h2-5,9-10H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWBEUJILGPYBQPS-UHFFFAOYSA-N
XLogP0.75
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42924442

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60791259) is 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is CS(=O)(=O)c1cccc(NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WBEUJILGPYBQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S/c1-19(17,18)8-4-2-3-7(5-8)13-11(14)9-6-10(9)12(15)16/h2-5,9-10H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).