1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

C13H16N2O5S — CID 115450108

IUPAC1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H16N2O5S/c1-9(16)15-10-2-4-11(5-3-10)21(19,20)14-8-13(6-7-13)12(17)18/h2-5,14H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyZYWADBWLHKMUHO-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.79
Rot. Bonds6

About 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450108) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450108
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H16N2O5S/c1-9(16)15-10-2-4-11(5-3-10)21(19,20)14-8-13(6-7-13)12(17)18/h2-5,14H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyZYWADBWLHKMUHO-UHFFFAOYSA-N
XLogP0.79
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
CID 114758572
1-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138
1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115450505
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
1-[[(4-iodophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311052
1-[[[4-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 166274267
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
1-[[(3-fluoro-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450133
N-[4-[(1-thiophen-2-ylcyclohexyl)methylsulfamoyl]phenyl]acetamide
CID 30943323

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (CID 115450108) is 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)NCC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZYWADBWLHKMUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-9(16)15-10-2-4-11(5-3-10)21(19,20)14-8-13(6-7-13)12(17)18/h2-5,14H,6-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).