5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide

C11H15N3O3S — CID 66186326

IUPAC5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CNC2)cc1C(N)=O
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-9(4-10(7)11(12)15)18(16,17)14-8-5-13-6-8/h2-4,8,13-14H,5-6H2,1H3,(H2,12,15)
InChIKeyZVFHRBVXRZCMRX-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.66
Rot. Bonds4

About 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide

5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide (PubChem CID 66186326) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide
PubChem CID66186326
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CNC2)cc1C(N)=O
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-9(4-10(7)11(12)15)18(16,17)14-8-5-13-6-8/h2-4,8,13-14H,5-6H2,1H3,(H2,12,15)
InChIKeyZVFHRBVXRZCMRX-UHFFFAOYSA-N
XLogP-0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]sulfamoyl]-2-methylbenzamide
CID 94081793
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552011
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
5-(2-cyanopiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 79095352
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783
4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505338

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide?
The IUPAC name of 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide (CID 66186326) is 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC2CNC2)cc1C(N)=O.
What is the InChIKey of 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide?
The InChIKey is ZVFHRBVXRZCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-2-3-9(4-10(7)11(12)15)18(16,17)14-8-5-13-6-8/h2-4,8,13-14H,5-6H2,1H3,(H2,12,15).
What are the key properties of 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide?
5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide has a molecular weight of 269.33 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 66186326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).