1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

C12H12N2O4S — CID 113312082

IUPAC1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccccc1S(=O)(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H12N2O4S/c13-7-9-3-1-2-4-10(9)19(17,18)14-8-12(5-6-12)11(15)16/h1-4,14H,5-6,8H2,(H,15,16)
InChIKeyFFAASPDJOKKMRG-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.70
Rot. Bonds5

About 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312082) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312082
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccccc1S(=O)(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H12N2O4S/c13-7-9-3-1-2-4-10(9)19(17,18)14-8-12(5-6-12)11(15)16/h1-4,14H,5-6,8H2,(H,15,16)
InChIKeyFFAASPDJOKKMRG-UHFFFAOYSA-N
XLogP0.70
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[[(2-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
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1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
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2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 110731431
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
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2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
1-[(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450211
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
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2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104705980
1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (CID 113312082) is 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is N#Cc1ccccc1S(=O)(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FFAASPDJOKKMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c13-7-9-3-1-2-4-10(9)19(17,18)14-8-12(5-6-12)11(15)16/h1-4,14H,5-6,8H2,(H,15,16).
What are the key properties of 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).