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

C16H16F2N2O4S — CID 51213455

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

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

3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (PubChem CID 51213455) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
PubChem CID51213455
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(OC(F)F)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H16F2N2O4S/c1-10(11-4-3-7-14(9-11)25(19,22)23)20-15(21)12-5-2-6-13(8-12)24-16(17)18/h2-10,16H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyMWFJUKODYWESMB-UHFFFAOYSA-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-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2537276
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
CID 26011119
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (CID 51213455) is 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is CC(NC(=O)c1cccc(OC(F)F)c1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is MWFJUKODYWESMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-10(11-4-3-7-14(9-11)25(19,22)23)20-15(21)12-5-2-6-13(8-12)24-16(17)18/h2-10,16H,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
3-(difluoromethoxy)-N-[1-(3-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-[1-(3-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 51213455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).