N-cyclopropyl-2-methylsulfonylbenzamide

C11H13NO3S — CID 31302328

IUPACN-cyclopropyl-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CC1
InChIInChI=1S/C11H13NO3S/c1-16(14,15)10-5-3-2-4-9(10)11(13)12-8-6-7-8/h2-5,8H,6-7H2,1H3,(H,12,13)
InChIKeyBCDINAOSJIGYFA-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.98
Rot. Bonds3

About N-cyclopropyl-2-methylsulfonylbenzamide

N-cyclopropyl-2-methylsulfonylbenzamide (PubChem CID 31302328) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-cyclopropyl-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylsulfonylbenzamide
PubChem CID31302328
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-cyclopropyl-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CC1
InChIInChI=1S/C11H13NO3S/c1-16(14,15)10-5-3-2-4-9(10)11(13)12-8-6-7-8/h2-5,8H,6-7H2,1H3,(H,12,13)
InChIKeyBCDINAOSJIGYFA-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-2-methylsulfonylbenzamide (CID 31302328) is N-cyclopropyl-2-methylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-methylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methylsulfonylbenzamide?
The InChIKey is BCDINAOSJIGYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-16(14,15)10-5-3-2-4-9(10)11(13)12-8-6-7-8/h2-5,8H,6-7H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-2-methylsulfonylbenzamide?
N-cyclopropyl-2-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-2-methylsulfonylbenzamide is sourced from PubChem (CID 31302328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).