N-methylsulfonyl-3-propan-2-ylbenzamide

C11H15NO3S — CID 59434803

IUPACN-methylsulfonyl-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO3S/c1-8(2)9-5-4-6-10(7-9)11(13)12-16(3,14)15/h4-8H,1-3H3,(H,12,13)
InChIKeyYFLZNGJYXOYRJY-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.50
Rot. Bonds3

About N-methylsulfonyl-3-propan-2-ylbenzamide

N-methylsulfonyl-3-propan-2-ylbenzamide (PubChem CID 59434803) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-methylsulfonyl-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-methylsulfonyl-3-propan-2-ylbenzamide
PubChem CID59434803
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-methylsulfonyl-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO3S/c1-8(2)9-5-4-6-10(7-9)11(13)12-16(3,14)15/h4-8H,1-3H3,(H,12,13)
InChIKeyYFLZNGJYXOYRJY-UHFFFAOYSA-N
XLogP1.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-methylsulfonylbenzamide
CID 18331681
3-bromo-N-methylsulfonylbenzamide
CID 47269279
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
N-(4-iodophenyl)-3-propan-2-ylbenzamide
CID 175863152
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
3-methyl-N-methylsulfonylbenzamide;nonane;pentane
CID 143716658
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
CID 154810387
N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-3-propan-2-ylbenzamide?
The IUPAC name of N-methylsulfonyl-3-propan-2-ylbenzamide (CID 59434803) is N-methylsulfonyl-3-propan-2-ylbenzamide.
What is the SMILES notation for N-methylsulfonyl-3-propan-2-ylbenzamide?
The canonical SMILES for N-methylsulfonyl-3-propan-2-ylbenzamide is CC(C)c1cccc(C(=O)NS(C)(=O)=O)c1.
What is the InChIKey of N-methylsulfonyl-3-propan-2-ylbenzamide?
The InChIKey is YFLZNGJYXOYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(2)9-5-4-6-10(7-9)11(13)12-16(3,14)15/h4-8H,1-3H3,(H,12,13).
What are the key properties of N-methylsulfonyl-3-propan-2-ylbenzamide?
N-methylsulfonyl-3-propan-2-ylbenzamide has a molecular weight of 241.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-3-propan-2-ylbenzamide is sourced from PubChem (CID 59434803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).