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

C12H14F2N2O4S — CID 79139619

IUPACN-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)NCC(F)F)CO2
InChIInChI=1S/C12H14F2N2O4S/c13-11(14)5-16-12(17)8-3-7-4-9(21(15,18)19)1-2-10(7)20-6-8/h1-2,4,8,11H,3,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyJPALPRXYSLYUSW-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.27
Rot. Bonds4

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

N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 79139619) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID79139619
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC NameN-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)NCC(F)F)CO2
InChIInChI=1S/C12H14F2N2O4S/c13-11(14)5-16-12(17)8-3-7-4-9(21(15,18)19)1-2-10(7)20-6-8/h1-2,4,8,11H,3,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyJPALPRXYSLYUSW-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63850228
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 65374640
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 16788179
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
(3S)-6-chlorosulfonyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 98119594
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
propyl 6-chlorosulfonyl-3,4-dihydro-2H-chromene-3-carboxylate
CID 65397872
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
(3R)-6-chloro-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25465679

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 79139619) is N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide is NS(=O)(=O)c1ccc2c(c1)CC(C(=O)NCC(F)F)CO2.
What is the InChIKey of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JPALPRXYSLYUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-11(14)5-16-12(17)8-3-7-4-9(21(15,18)19)1-2-10(7)20-6-8/h1-2,4,8,11H,3,5-6H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.27, 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-3-carboxamide is sourced from PubChem (CID 79139619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).