2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide

C17H13F2NO5S — CID 166397290

IUPAC2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(C(F)F)c1
InChIInChI=1S/C17H13F2NO5S/c1-24-12-4-6-15(13(9-12)17(18)19)26(22,23)20-11-3-5-14-10(8-11)2-7-16(21)25-14/h2-9,17,20H,1H3
InChIKeyRLHMNXUUXQCXNM-UHFFFAOYSA-N
MW381.36 g/mol
LogP3.54
Rot. Bonds5

About 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide

2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide (PubChem CID 166397290) has the molecular formula C17H13F2NO5S and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide
PubChem CID166397290
Molecular FormulaC17H13F2NO5S
Molecular Weight381.36 g/mol
Exact Mass381.05
IUPAC Name2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(C(F)F)c1
InChIInChI=1S/C17H13F2NO5S/c1-24-12-4-6-15(13(9-12)17(18)19)26(22,23)20-11-3-5-14-10(8-11)2-7-16(21)25-14/h2-9,17,20H,1H3
InChIKeyRLHMNXUUXQCXNM-UHFFFAOYSA-N
XLogP3.54
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30782491
4-bromo-N-(2-oxochromen-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 166194070
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide
CID 156580163
2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide
CID 166230506
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 60578994
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
2-methyl-5-nitro-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 55865536
2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 6459417
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide
CID 166397251

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide (CID 166397290) is 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide?
The InChIKey is RLHMNXUUXQCXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO5S/c1-24-12-4-6-15(13(9-12)17(18)19)26(22,23)20-11-3-5-14-10(8-11)2-7-16(21)25-14/h2-9,17,20H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide?
2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide has a molecular weight of 381.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 166397290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).