1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid

C13H16N2O5S — CID 115914236

IUPAC1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H16N2O5S/c1-14-11(16)8-15-21(19,20)10-4-2-9(3-5-10)13(6-7-13)12(17)18/h2-5,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyQCKSJEXBYZZOMW-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.17
Rot. Bonds6

About 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115914236) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID115914236
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H16N2O5S/c1-14-11(16)8-15-21(19,20)10-4-2-9(3-5-10)13(6-7-13)12(17)18/h2-5,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyQCKSJEXBYZZOMW-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207
1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 112558591
1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914226
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 43662571
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
CID 22504886
1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163965
1-[4-(oxetan-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914288
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289
1-[4-[(2-methylsulfonylacetyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912899

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid (CID 115914236) is 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid is CNC(=O)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QCKSJEXBYZZOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-14-11(16)8-15-21(19,20)10-4-2-9(3-5-10)13(6-7-13)12(17)18/h2-5,15H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115914236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).