3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide

C18H14ClFN2O4S — CID 18892761

IUPAC3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN2O4S/c19-13-4-1-3-12(9-13)18(23)22-17-7-6-15(10-16(17)20)27(24,25)21-11-14-5-2-8-26-14/h1-10,21H,11H2,(H,22,23)
InChIKeyRLGRGWCKKNMDFD-UHFFFAOYSA-N
MW408.84 g/mol
LogP3.80
Rot. Bonds6

About 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide

3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 18892761) has the molecular formula C18H14ClFN2O4S and a molecular weight of 408.84 g/mol. Its IUPAC name is 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID18892761
Molecular FormulaC18H14ClFN2O4S
Molecular Weight408.84 g/mol
Exact Mass408.03
IUPAC Name3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN2O4S/c19-13-4-1-3-12(9-13)18(23)22-17-7-6-15(10-16(17)20)27(24,25)21-11-14-5-2-8-26-14/h1-10,21H,11H2,(H,22,23)
InChIKeyRLGRGWCKKNMDFD-UHFFFAOYSA-N
XLogP3.80
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526906
N-(3-chloro-2-fluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9146107
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
CID 18892739
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892877
3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892770

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 18892761) is 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is RLGRGWCKKNMDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4S/c19-13-4-1-3-12(9-13)18(23)22-17-7-6-15(10-16(17)20)27(24,25)21-11-14-5-2-8-26-14/h1-10,21H,11H2,(H,22,23).
What are the key properties of 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 408.84 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 18892761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).