N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide

C19H17F5N2O4S — CID 46235650

IUPACN-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CNC(=O)C2CCc3cc(C(F)(F)F)ccc3O2)cc1F
InChIInChI=1S/C19H17F5N2O4S/c1-31(28,29)26-17-13(20)6-10(7-14(17)21)9-25-18(27)16-4-2-11-8-12(19(22,23)24)3-5-15(11)30-16/h3,5-8,16,26H,2,4,9H2,1H3,(H,25,27)
InChIKeyDUCYODBHKPWEFS-UHFFFAOYSA-N
MW464.41 g/mol
LogP3.37
Rot. Bonds5

About N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide

N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 46235650) has the molecular formula C19H17F5N2O4S and a molecular weight of 464.41 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID46235650
Molecular FormulaC19H17F5N2O4S
Molecular Weight464.41 g/mol
Exact Mass464.08
IUPAC NameN-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CNC(=O)C2CCc3cc(C(F)(F)F)ccc3O2)cc1F
InChIInChI=1S/C19H17F5N2O4S/c1-31(28,29)26-17-13(20)6-10(7-14(17)21)9-25-18(27)16-4-2-11-8-12(19(22,23)24)3-5-15(11)30-16/h3,5-8,16,26H,2,4,9H2,1H3,(H,25,27)
InChIKeyDUCYODBHKPWEFS-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 46235650) is N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide is CS(=O)(=O)Nc1c(F)cc(CNC(=O)C2CCc3cc(C(F)(F)F)ccc3O2)cc1F.
What is the InChIKey of N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is DUCYODBHKPWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O4S/c1-31(28,29)26-17-13(20)6-10(7-14(17)21)9-25-18(27)16-4-2-11-8-12(19(22,23)24)3-5-15(11)30-16/h3,5-8,16,26H,2,4,9H2,1H3,(H,25,27).
What are the key properties of N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 464.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 46235650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).