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

C12H14N2O5S — CID 60940520

IUPAC2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C12H14N2O5S/c1-20(18,19)14-8-4-2-3-7(5-8)13-11(15)9-6-10(9)12(16)17/h2-5,9-10,14H,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyDOJHGNXRQNEPHC-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.72
Rot. Bonds5

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

2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60940520) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60940520
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C12H14N2O5S/c1-20(18,19)14-8-4-2-3-7(5-8)13-11(15)9-6-10(9)12(16)17/h2-5,9-10,14H,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyDOJHGNXRQNEPHC-UHFFFAOYSA-N
XLogP0.72
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60940520) is 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is CS(=O)(=O)Nc1cccc(NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DOJHGNXRQNEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-20(18,19)14-8-4-2-3-7(5-8)13-11(15)9-6-10(9)12(16)17/h2-5,9-10,14H,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60940520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).