2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H16N2O5S — CID 119186489

IUPAC2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C13H16N2O5S/c1-7-3-4-10(15-21(2,19)20)11(5-7)14-12(16)8-6-9(8)13(17)18/h3-5,8-9,15H,6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQGEQUVMRCSQFSE-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.03
Rot. Bonds5

About 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119186489) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119186489
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C13H16N2O5S/c1-7-3-4-10(15-21(2,19)20)11(5-7)14-12(16)8-6-9(8)13(17)18/h3-5,8-9,15H,6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQGEQUVMRCSQFSE-UHFFFAOYSA-N
XLogP1.03
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974718
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977385
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60934556
N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
CID 119802655
(1R,6R)-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 690367
1-N-(2,4-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140799
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119186489) is 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc(NS(C)(=O)=O)c(NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QGEQUVMRCSQFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-7-3-4-10(15-21(2,19)20)11(5-7)14-12(16)8-6-9(8)13(17)18/h3-5,8-9,15H,6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119186489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).