2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide

C23H18F4N2O4S — CID 170311595

IUPAC2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C2CCOc3cc(F)ccc32)c1
InChIInChI=1S/C23H18F4N2O4S/c24-14-5-7-18-17(8-9-33-21(18)11-14)20-10-13(23(25,26)27)4-6-19(20)22(30)29-15-2-1-3-16(12-15)34(28,31)32/h1-7,10-12,17H,8-9H2,(H,29,30)(H2,28,31,32)
InChIKeyRWEONWRXRKEAPO-UHFFFAOYSA-N
MW494.47 g/mol
LogP4.66
Rot. Bonds4

About 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide

2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 170311595) has the molecular formula C23H18F4N2O4S and a molecular weight of 494.47 g/mol. Its IUPAC name is 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID170311595
Molecular FormulaC23H18F4N2O4S
Molecular Weight494.47 g/mol
Exact Mass494.09
IUPAC Name2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C2CCOc3cc(F)ccc32)c1
InChIInChI=1S/C23H18F4N2O4S/c24-14-5-7-18-17(8-9-33-21(18)11-14)20-10-13(23(25,26)27)4-6-19(20)22(30)29-15-2-1-3-16(12-15)34(28,31)32/h1-7,10-12,17H,8-9H2,(H,29,30)(H2,28,31,32)
InChIKeyRWEONWRXRKEAPO-UHFFFAOYSA-N
XLogP4.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 175481939
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide
CID 174965903
5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-(trifluoromethyl)benzoyl chloride
CID 170311599
1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4850568
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
3-(4-fluoro-2-hydroxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198832
1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90887523
N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 150456056
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (CID 170311595) is 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C2CCOc3cc(F)ccc32)c1.
What is the InChIKey of 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is RWEONWRXRKEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O4S/c24-14-5-7-18-17(8-9-33-21(18)11-14)20-10-13(23(25,26)27)4-6-19(20)22(30)29-15-2-1-3-16(12-15)34(28,31)32/h1-7,10-12,17H,8-9H2,(H,29,30)(H2,28,31,32).
What are the key properties of 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 494.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 170311595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).