N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide

C24H18F3NO5S — CID 11213977

IUPACN-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(Cc2ccc3oc(=O)cc(C(F)(F)F)c3c2)cc1
InChIInChI=1S/C24H18F3NO5S/c1-32-22-5-3-2-4-20(22)28-34(30,31)17-9-6-15(7-10-17)12-16-8-11-21-18(13-16)19(24(25,26)27)14-23(29)33-21/h2-11,13-14,28H,12H2,1H3
InChIKeyYUGVBTUBFYCTMU-UHFFFAOYSA-N
MW489.47 g/mol
LogP5.21
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide

N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide (PubChem CID 11213977) has the molecular formula C24H18F3NO5S and a molecular weight of 489.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
PubChem CID11213977
Molecular FormulaC24H18F3NO5S
Molecular Weight489.47 g/mol
Exact Mass489.09
IUPAC NameN-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(Cc2ccc3oc(=O)cc(C(F)(F)F)c3c2)cc1
InChIInChI=1S/C24H18F3NO5S/c1-32-22-5-3-2-4-20(22)28-34(30,31)17-9-6-15(7-10-17)12-16-8-11-21-18(13-16)19(24(25,26)27)14-23(29)33-21/h2-11,13-14,28H,12H2,1H3
InChIKeyYUGVBTUBFYCTMU-UHFFFAOYSA-N
XLogP5.21
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.47
LogP ≤ 55.21
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-(hydroxymethyl)phenyl]-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11340781
N-[3-(1-hydroxyethyl)phenyl]-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11397974
4-[[4-(1,1-difluoropropyl)-2-oxochromen-6-yl]methyl]-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 142967304
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one
CID 10368556
N-[[3-(benzylamino)phenyl]methyl]-4-[[4-[(E)-1,1-difluorobut-2-enyl]-2-oxochromen-6-yl]methyl]benzenesulfonamide
CID 162580207
2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 4962335
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977
2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25037684
N-(2-methoxydibenzofuran-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2444978

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide (CID 11213977) is N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(Cc2ccc3oc(=O)cc(C(F)(F)F)c3c2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide?
The InChIKey is YUGVBTUBFYCTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO5S/c1-32-22-5-3-2-4-20(22)28-34(30,31)17-9-6-15(7-10-17)12-16-8-11-21-18(13-16)19(24(25,26)27)14-23(29)33-21/h2-11,13-14,28H,12H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide?
N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide has a molecular weight of 489.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 11213977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).