N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide

C17H14FNO4S — CID 34075450

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C17H14FNO4S/c1-24(21,22)13-6-7-14(18)15(9-13)19-17(20)12-8-11-4-2-3-5-16(11)23-10-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyNQPGBPXCNXIKQB-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.64
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide (PubChem CID 34075450) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide
PubChem CID34075450
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C17H14FNO4S/c1-24(21,22)13-6-7-14(18)15(9-13)19-17(20)12-8-11-4-2-3-5-16(11)23-10-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyNQPGBPXCNXIKQB-UHFFFAOYSA-N
XLogP2.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 26975924
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
CID 9042933
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide (CID 34075450) is N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)C2=Cc3ccccc3OC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is NQPGBPXCNXIKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c1-24(21,22)13-6-7-14(18)15(9-13)19-17(20)12-8-11-4-2-3-5-16(11)23-10-12/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 34075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).