N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide

C20H21F3N2O5S — CID 146237340

IUPACN-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1C(=O)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C20H21F3N2O5S/c1-29-18-7-5-14(31(27,28)25-13-3-2-8-30-11-13)10-16(18)20(26)24-12-4-6-17(21)15(9-12)19(22)23/h4-7,9-10,13,19,25H,2-3,8,11H2,1H3,(H,24,26)/t13-/m0/s1
InChIKeyQJIUPZYAEYHJDW-ZDUSSCGKSA-N
MW458.46 g/mol
LogP3.48
Rot. Bonds7

About N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide

N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide (PubChem CID 146237340) has the molecular formula C20H21F3N2O5S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
PubChem CID146237340
Molecular FormulaC20H21F3N2O5S
Molecular Weight458.46 g/mol
Exact Mass458.11
IUPAC NameN-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1C(=O)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C20H21F3N2O5S/c1-29-18-7-5-14(31(27,28)25-13-3-2-8-30-11-13)10-16(18)20(26)24-12-4-6-17(21)15(9-12)19(22)23/h4-7,9-10,13,19,25H,2-3,8,11H2,1H3,(H,24,26)/t13-/m0/s1
InChIKeyQJIUPZYAEYHJDW-ZDUSSCGKSA-N
XLogP3.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146237169
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237320
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide (CID 146237340) is N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1C(=O)Nc1ccc(F)c(C(F)F)c1.
What is the InChIKey of N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide?
The InChIKey is QJIUPZYAEYHJDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21F3N2O5S/c1-29-18-7-5-14(31(27,28)25-13-3-2-8-30-11-13)10-16(18)20(26)24-12-4-6-17(21)15(9-12)19(22)23/h4-7,9-10,13,19,25H,2-3,8,11H2,1H3,(H,24,26)/t13-/m0/s1.
What are the key properties of N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide?
N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide has a molecular weight of 458.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 146237340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).