3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

C16H16F2N2O4S — CID 2537276

IUPAC3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16F2N2O4S/c1-10(11-5-7-14(8-6-11)25(19,22)23)20-15(21)12-3-2-4-13(9-12)24-16(17)18/h2-10,16H,1H3,(H,20,21)(H2,19,22,23)/t10-/m1/s1
InChIKeyXYOVOZMXRNCTGT-SNVBAGLBSA-N
MW370.38 g/mol
LogP2.43
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2537276) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2537276
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16F2N2O4S/c1-10(11-5-7-14(8-6-11)25(19,22)23)20-15(21)12-3-2-4-13(9-12)24-16(17)18/h2-10,16H,1H3,(H,20,21)(H2,19,22,23)/t10-/m1/s1
InChIKeyXYOVOZMXRNCTGT-SNVBAGLBSA-N
XLogP2.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(methylsulfanylmethyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 40809207
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methoxybenzoate
CID 9019237
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 41133821
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305
4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846555
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (CID 2537276) is 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is XYOVOZMXRNCTGT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-10(11-5-7-14(8-6-11)25(19,22)23)20-15(21)12-3-2-4-13(9-12)24-16(17)18/h2-10,16H,1H3,(H,20,21)(H2,19,22,23)/t10-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 370.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2537276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).