3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide

C13H17FN2O4S — CID 146131677

IUPAC3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NS(=O)(=O)CC(C)C)ccc1F
InChIInChI=1S/C13H17FN2O4S/c1-8(2)7-21(19,20)16-13(18)10-4-5-11(14)12(6-10)15-9(3)17/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBDXSOCGFNLJHBY-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.50
Rot. Bonds5

About 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide

3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide (PubChem CID 146131677) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide
PubChem CID146131677
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NS(=O)(=O)CC(C)C)ccc1F
InChIInChI=1S/C13H17FN2O4S/c1-8(2)7-21(19,20)16-13(18)10-4-5-11(14)12(6-10)15-9(3)17/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBDXSOCGFNLJHBY-UHFFFAOYSA-N
XLogP1.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide?
The IUPAC name of 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide (CID 146131677) is 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide.
What is the SMILES notation for 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide?
The canonical SMILES for 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide is CC(=O)Nc1cc(C(=O)NS(=O)(=O)CC(C)C)ccc1F.
What is the InChIKey of 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide?
The InChIKey is BDXSOCGFNLJHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-8(2)7-21(19,20)16-13(18)10-4-5-11(14)12(6-10)15-9(3)17/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide?
3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide has a molecular weight of 316.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluoro-N-(2-methylpropylsulfonyl)benzamide is sourced from PubChem (CID 146131677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).