N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide

C13H16FNO3S — CID 71857492

IUPACN-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H16FNO3S/c14-12-8-4-1-5-10(12)9-13(16)15-19(17,18)11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2,(H,15,16)
InChIKeyPVDOOMKQZAYWLE-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.76
Rot. Bonds4

About N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide

N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide (PubChem CID 71857492) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide
PubChem CID71857492
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC NameN-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H16FNO3S/c14-12-8-4-1-5-10(12)9-13(16)15-19(17,18)11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2,(H,15,16)
InChIKeyPVDOOMKQZAYWLE-UHFFFAOYSA-N
XLogP1.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Reparixin
CID 9838712
(S)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide
CID 11414892
N-(benzenesulfonyl)-2-(4-fluorophenyl)acetamide
CID 47108695
2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 56680357
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
2-Phenyl-N-(phenylsulfonyl)acetamide
CID 357766
2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide
CID 6433115
N-(phenylacetyl)trifluoromethanesulfonamide
CID 10038595
(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11255697
(2R)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11267195
sulfophenyl acetic Amide
CID 23199431
N-methylsulfonyl-3-phenylpropanamide
CID 47232700

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide (CID 71857492) is N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide?
The InChIKey is PVDOOMKQZAYWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c14-12-8-4-1-5-10(12)9-13(16)15-19(17,18)11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2,(H,15,16).
What are the key properties of N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide?
N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide has a molecular weight of 285.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 71857492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).