1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

C13H17NO4S — CID 113311040

IUPAC1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H17NO4S/c1-10-5-2-3-6-11(10)19(17,18)14-9-13(12(15)16)7-4-8-13/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)
InChIKeyDPHMYRMORDQXNX-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.53
Rot. Bonds5

About 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311040) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311040
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H17NO4S/c1-10-5-2-3-6-11(10)19(17,18)14-9-13(12(15)16)7-4-8-13/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)
InChIKeyDPHMYRMORDQXNX-UHFFFAOYSA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
1-[[(2,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312080
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428
1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312082
1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445364
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 103743769
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
1-[[(4-iodophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311052

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (CID 113311040) is 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is Cc1ccccc1S(=O)(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is DPHMYRMORDQXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-10-5-2-3-6-11(10)19(17,18)14-9-13(12(15)16)7-4-8-13/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16).
What are the key properties of 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).