N-cyclopropyl-3-methylsulfonylbenzamide

C11H13NO3S — CID 18105935

IUPACN-cyclopropyl-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C11H13NO3S/c1-16(14,15)10-4-2-3-8(7-10)11(13)12-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,12,13)
InChIKeyIMMDJCZUJWISLK-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.98
Rot. Bonds3

About N-cyclopropyl-3-methylsulfonylbenzamide

N-cyclopropyl-3-methylsulfonylbenzamide (PubChem CID 18105935) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-cyclopropyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methylsulfonylbenzamide
PubChem CID18105935
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-cyclopropyl-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C11H13NO3S/c1-16(14,15)10-4-2-3-8(7-10)11(13)12-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,12,13)
InChIKeyIMMDJCZUJWISLK-UHFFFAOYSA-N
XLogP0.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methylsulfonylbenzamide
CID 98318394
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
[2-(cyclopropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528872
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-3-methylsulfonylbenzamide (CID 18105935) is N-cyclopropyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methylsulfonylbenzamide?
The InChIKey is IMMDJCZUJWISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-16(14,15)10-4-2-3-8(7-10)11(13)12-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-3-methylsulfonylbenzamide?
N-cyclopropyl-3-methylsulfonylbenzamide has a molecular weight of 239.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 18105935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).