1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid

C12H15NO4S — CID 113311051

IUPAC1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H15NO4S/c14-11(15)12(7-4-8-12)9-13-18(16,17)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,14,15)
InChIKeyXUIZACAEQGPLKM-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.22
Rot. Bonds5

About 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid

1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid (PubChem CID 113311051) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
PubChem CID113311051
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H15NO4S/c14-11(15)12(7-4-8-12)9-13-18(16,17)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,14,15)
InChIKeyXUIZACAEQGPLKM-UHFFFAOYSA-N
XLogP1.22
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-iodophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311052
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445364
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311056
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312082
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-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid (CID 113311051) is 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2ccccc2)CCC1.
What is the InChIKey of 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid?
The InChIKey is XUIZACAEQGPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-11(15)12(7-4-8-12)9-13-18(16,17)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,14,15).
What are the key properties of 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid?
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).