(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H14FNO3S2 — CID 34188852

IUPAC(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2Cc3ccccc3S2)c1
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)11-6-7-12(17)13(9-11)18-16(19)15-8-10-4-2-3-5-14(10)22-15/h2-7,9,15H,8H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRSFROGHJGYJUGF-OAHLLOKOSA-N
MW351.42 g/mol
LogP2.88
Rot. Bonds3

About (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 34188852) has the molecular formula C16H14FNO3S2 and a molecular weight of 351.42 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID34188852
Molecular FormulaC16H14FNO3S2
Molecular Weight351.42 g/mol
Exact Mass351.04
IUPAC Name(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2Cc3ccccc3S2)c1
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)11-6-7-12(17)13(9-11)18-16(19)15-8-10-4-2-3-5-14(10)22-15/h2-7,9,15H,8H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRSFROGHJGYJUGF-OAHLLOKOSA-N
XLogP2.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24596987
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723306
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43708243
N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51314339
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592593
N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310218
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931163
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 34188852) is (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2Cc3ccccc3S2)c1.
What is the InChIKey of (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is RSFROGHJGYJUGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14FNO3S2/c1-23(20,21)11-6-7-12(17)13(9-11)18-16(19)15-8-10-4-2-3-5-14(10)22-15/h2-7,9,15H,8H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 34188852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).