N-(azetidin-3-yl)-3-methylsulfonylbenzamide

C11H14N2O3S — CID 66186520

IUPACN-(azetidin-3-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CNC2)c1
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)10-4-2-3-8(5-10)11(14)13-9-6-12-7-9/h2-5,9,12H,6-7H2,1H3,(H,13,14)
InChIKeyUCESXIOQEZSBRZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.21
Rot. Bonds3

About N-(azetidin-3-yl)-3-methylsulfonylbenzamide

N-(azetidin-3-yl)-3-methylsulfonylbenzamide (PubChem CID 66186520) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-methylsulfonylbenzamide
PubChem CID66186520
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(azetidin-3-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CNC2)c1
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)10-4-2-3-8(5-10)11(14)13-9-6-12-7-9/h2-5,9,12H,6-7H2,1H3,(H,13,14)
InChIKeyUCESXIOQEZSBRZ-UHFFFAOYSA-N
XLogP-0.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methylsulfonylbenzamide
CID 98318394
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
N-bromo-3-methylsulfonylbenzamide
CID 174925666
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-3-methylsulfonylbenzamide (CID 66186520) is N-(azetidin-3-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-yl)-3-methylsulfonylbenzamide?
The InChIKey is UCESXIOQEZSBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-17(15,16)10-4-2-3-8(5-10)11(14)13-9-6-12-7-9/h2-5,9,12H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(azetidin-3-yl)-3-methylsulfonylbenzamide?
N-(azetidin-3-yl)-3-methylsulfonylbenzamide has a molecular weight of 254.31 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 66186520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).