4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

C20H19ClN2O5S — CID 24542587

IUPAC4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)ccc2Cl)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-23(13-17-4-3-11-28-17)20(24)14-5-10-18(21)19(12-14)29(25,26)22-15-6-8-16(27-2)9-7-15/h3-12,22H,13H2,1-2H3
InChIKeyPFHOAGJWRURGOZ-UHFFFAOYSA-N
MW434.90 g/mol
LogP4.01
Rot. Bonds7

About 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 24542587) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID24542587
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)ccc2Cl)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-23(13-17-4-3-11-28-17)20(24)14-5-10-18(21)19(12-14)29(25,26)22-15-6-8-16(27-2)9-7-15/h3-12,22H,13H2,1-2H3
InChIKeyPFHOAGJWRURGOZ-UHFFFAOYSA-N
XLogP4.01
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 24542588
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134029086
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 78783876
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 3995207
4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
N-(furan-2-ylmethyl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 26711931
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 34756009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (CID 24542587) is 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is PFHOAGJWRURGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-23(13-17-4-3-11-28-17)20(24)14-5-10-18(21)19(12-14)29(25,26)22-15-6-8-16(27-2)9-7-15/h3-12,22H,13H2,1-2H3.
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 434.90 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24542587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).