N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide

C12H14F2N2O4S — CID 115408919

IUPACN-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)F)CCO2
InChIInChI=1S/C12H14F2N2O4S/c13-11(14)6-16-12(17)8-3-4-20-10-2-1-7(5-9(8)10)21(15,18)19/h1-2,5,8,11H,3-4,6H2,(H,16,17)(H2,15,18,19)
InChIKeyDNPIWMANSSKDAP-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.58
Rot. Bonds4

About N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 115408919) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID115408919
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC NameN-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)F)CCO2
InChIInChI=1S/C12H14F2N2O4S/c13-11(14)6-16-12(17)8-3-4-20-10-2-1-7(5-9(8)10)21(15,18)19/h1-2,5,8,11H,3-4,6H2,(H,16,17)(H2,15,18,19)
InChIKeyDNPIWMANSSKDAP-UHFFFAOYSA-N
XLogP0.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-phenylphenyl)-N-[4-(4-sulfamoylphenoxy)butyl]propanamide
CID 145964130
2-[4-(2-methylpropyl)phenyl]-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide
CID 145964340
2-[4-(2-methylpropyl)phenyl]-N-[3-(4-sulfamoylphenoxy)propyl]propanamide
CID 145966475
2-(3-fluoro-4-phenylphenyl)-N-[3-(4-sulfamoylphenoxy)propyl]propanamide
CID 145972316
2-[4-(2-methylpropyl)phenyl]-N-[4-(4-sulfamoylphenoxy)butyl]propanamide
CID 145978673
N-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 72023819
N-(3,4-dihydro-2H-chromen-3-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 42961004
6-(2-methylpropylsulfamoyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 69963215
3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide
CID 155465313
N-[2-(2-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27756893
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
CID 29196262
1-(4-ethoxyphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 31288422

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 115408919) is N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide is NS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)F)CCO2.
What is the InChIKey of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is DNPIWMANSSKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-11(14)6-16-12(17)8-3-4-20-10-2-1-7(5-9(8)10)21(15,18)19/h1-2,5,8,11H,3-4,6H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 115408919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).