4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide

C19H16Cl2N2O4S — CID 36866343

IUPAC4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16Cl2N2O4S/c20-15-6-3-13(4-7-15)11-22-19(24)14-5-8-17(21)18(10-14)28(25,26)23-12-16-2-1-9-27-16/h1-10,23H,11-12H2,(H,22,24)
InChIKeyUKPWYHGFQIJTJK-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.99
Rot. Bonds7

About 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide

4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 36866343) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID36866343
Molecular FormulaC19H16Cl2N2O4S
Molecular Weight439.32 g/mol
Exact Mass438.02
IUPAC Name4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16Cl2N2O4S/c20-15-6-3-13(4-7-15)11-22-19(24)14-5-8-17(21)18(10-14)28(25,26)23-12-16-2-1-9-27-16/h1-10,23H,11-12H2,(H,22,24)
InChIKeyUKPWYHGFQIJTJK-UHFFFAOYSA-N
XLogP3.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410
4-chloro-N-(4-ethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36705186
N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 24672563
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 36866380
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36717175
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
4-chloro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345881
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 4655574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide (CID 36866343) is 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is UKPWYHGFQIJTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c20-15-6-3-13(4-7-15)11-22-19(24)14-5-8-17(21)18(10-14)28(25,26)23-12-16-2-1-9-27-16/h1-10,23H,11-12H2,(H,22,24).
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 439.32 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 36866343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).