4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

C20H19ClN2O4S — CID 36865653

IUPAC4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H19ClN2O4S/c1-13-5-6-14(2)18(10-13)23-20(24)15-7-8-17(21)19(11-15)28(25,26)22-12-16-4-3-9-27-16/h3-11,22H,12H2,1-2H3,(H,23,24)
InChIKeyOMWDAALTNQXRHM-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.28
Rot. Bonds6

About 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 36865653) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID36865653
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H19ClN2O4S/c1-13-5-6-14(2)18(10-13)23-20(24)15-7-8-17(21)19(11-15)28(25,26)22-12-16-4-3-9-27-16/h3-11,22H,12H2,1-2H3,(H,23,24)
InChIKeyOMWDAALTNQXRHM-UHFFFAOYSA-N
XLogP4.28
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-ethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36705186
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 24672563
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36717175
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410
2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 36866380
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (CID 36865653) is 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is OMWDAALTNQXRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-13-5-6-14(2)18(10-13)23-20(24)15-7-8-17(21)19(11-15)28(25,26)22-12-16-4-3-9-27-16/h3-11,22H,12H2,1-2H3,(H,23,24).
What are the key properties of 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 418.90 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 36865653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).