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

C12H15NO5S — CID 113312097

IUPAC1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C12H15NO5S/c1-18-9-2-4-10(5-3-9)19(16,17)13-8-12(6-7-12)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyAWNCYDLYUSKWHQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.84
Rot. Bonds6

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

1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312097) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312097
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C12H15NO5S/c1-18-9-2-4-10(5-3-9)19(16,17)13-8-12(6-7-12)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyAWNCYDLYUSKWHQ-UHFFFAOYSA-N
XLogP0.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
1-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
1-[[(4-iodophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311052
4-[[(4-bromophenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
CID 115438563
1-[[[4-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 166274267
1-[[(3-fluoro-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450133
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 103969990
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (CID 113312097) is 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is COc1ccc(S(=O)(=O)NCC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is AWNCYDLYUSKWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-18-9-2-4-10(5-3-9)19(16,17)13-8-12(6-7-12)11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).