3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C20H19ClN2O4S — CID 4807457

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1
InChIInChI=1S/C20H19ClN2O4S/c1-14-10-11-16(27-14)13-23(2)20(24)15-6-5-7-17(12-15)28(25,26)22-19-9-4-3-8-18(19)21/h3-12,22H,13H2,1-2H3
InChIKeyJCXJJXLNEPZZQC-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.31
Rot. Bonds6

About 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 4807457) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID4807457
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1
InChIInChI=1S/C20H19ClN2O4S/c1-14-10-11-16(27-14)13-23(2)20(24)15-6-5-7-17(12-15)28(25,26)22-19-9-4-3-8-18(19)21/h3-12,22H,13H2,1-2H3
InChIKeyJCXJJXLNEPZZQC-UHFFFAOYSA-N
XLogP4.31
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 17479896
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551118
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4965232
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150760
3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 34756009
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 26560928
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 4807457) is 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is JCXJJXLNEPZZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-14-10-11-16(27-14)13-23(2)20(24)15-6-5-7-17(12-15)28(25,26)22-19-9-4-3-8-18(19)21/h3-12,22H,13H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 418.90 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 4807457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).