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

C17H15NO4S — CID 26975924

IUPACN-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C17H15NO4S/c1-23(20,21)15-7-4-6-14(10-15)18-17(19)13-9-12-5-2-3-8-16(12)22-11-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyDHDLVVMRSLXARD-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.50
Rot. Bonds3

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

N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide (PubChem CID 26975924) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
PubChem CID26975924
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C17H15NO4S/c1-23(20,21)15-7-4-6-14(10-15)18-17(19)13-9-12-5-2-3-8-16(12)22-11-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyDHDLVVMRSLXARD-UHFFFAOYSA-N
XLogP2.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 34075450
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide
CID 31516670
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27335225
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide
CID 26955320
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
N-(2-anilino-2-oxo-1-phenylethyl)-2H-chromene-3-carboxamide
CID 55779225

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide (CID 26975924) is N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is DHDLVVMRSLXARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-23(20,21)15-7-4-6-14(10-15)18-17(19)13-9-12-5-2-3-8-16(12)22-11-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide?
N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 26975924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).