3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid

C13H14N2O5S — CID 138045411

IUPAC3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCOc1cc(C#N)ccc1S(=O)(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C13H14N2O5S/c1-20-11-4-8(7-14)2-3-12(11)21(18,19)15-10-5-9(6-10)13(16)17/h2-4,9-10,15H,5-6H2,1H3,(H,16,17)
InChIKeyINPIVQWPLJWGMQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.71
Rot. Bonds5

About 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid

3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 138045411) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID138045411
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCOc1cc(C#N)ccc1S(=O)(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C13H14N2O5S/c1-20-11-4-8(7-14)2-3-12(11)21(18,19)15-10-5-9(6-10)13(16)17/h2-4,9-10,15H,5-6H2,1H3,(H,16,17)
InChIKeyINPIVQWPLJWGMQ-UHFFFAOYSA-N
XLogP0.71
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]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

cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
3-[(2-bromo-4-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138031774
N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998868
3-[(2-cyano-3-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138045412
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
4-cyano-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120876015
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120875095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
CID 120876321
2-(4-cyano-2-methoxyanilino)ethanesulfonamide
CID 114385179
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid (CID 138045411) is 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid is COc1cc(C#N)ccc1S(=O)(=O)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is INPIVQWPLJWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-20-11-4-8(7-14)2-3-12(11)21(18,19)15-10-5-9(6-10)13(16)17/h2-4,9-10,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 138045411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).