6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide

C19H17BrF2N2O4S — CID 75181389

IUPAC6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C19H17BrF2N2O4S/c1-10(11-7-15(21)18(16(22)8-11)24-29(2,26)27)23-19(25)13-5-12-6-14(20)3-4-17(12)28-9-13/h3-8,10,24H,9H2,1-2H3,(H,23,25)
InChIKeyUOMCLULBPPMACL-UHFFFAOYSA-N
MW487.32 g/mol
LogP3.75
Rot. Bonds5

About 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide

6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide (PubChem CID 75181389) has the molecular formula C19H17BrF2N2O4S and a molecular weight of 487.32 g/mol. Its IUPAC name is 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide
PubChem CID75181389
Molecular FormulaC19H17BrF2N2O4S
Molecular Weight487.32 g/mol
Exact Mass486.01
IUPAC Name6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C19H17BrF2N2O4S/c1-10(11-7-15(21)18(16(22)8-11)24-29(2,26)27)23-19(25)13-5-12-6-14(20)3-4-17(12)28-9-13/h3-8,10,24H,9H2,1-2H3,(H,23,25)
InChIKeyUOMCLULBPPMACL-UHFFFAOYSA-N
XLogP3.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.32
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[1-(2-methoxyphenyl)ethyl]-2H-chromene-3-carboxamide
CID 24616218
2-[(6-bromo-2H-chromene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357667
(E)-2-[(6-bromo-2H-chromene-3-carbonyl)amino]hex-4-enoic acid
CID 120694172
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-propan-2-ylquinoline-6-carboxamide
CID 74387260
6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 30759506
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-difluorobenzamide
CID 78803541
2-(3-bromophenoxy)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 70924576
2-cyclopropyl-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]quinoline-6-carboxamide
CID 74387381
6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
CID 113227499
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 66978035
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide (CID 75181389) is 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide is CC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1cc(F)c(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide?
The InChIKey is UOMCLULBPPMACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N2O4S/c1-10(11-7-15(21)18(16(22)8-11)24-29(2,26)27)23-19(25)13-5-12-6-14(20)3-4-17(12)28-9-13/h3-8,10,24H,9H2,1-2H3,(H,23,25).
What are the key properties of 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide?
6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide has a molecular weight of 487.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 75181389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).