5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C23H26ClN3O4S — CID 24542675

IUPAC5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)c1ccco1
InChIInChI=1S/C23H26ClN3O4S/c1-26(2)21(22-10-7-13-31-22)15-25-23(28)19-14-18(11-12-20(19)24)32(29,30)27(3)16-17-8-5-4-6-9-17/h4-14,21H,15-16H2,1-3H3,(H,25,28)
InChIKeyJWVZYKZPFRKHNM-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.79
Rot. Bonds9

About 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 24542675) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID24542675
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)c1ccco1
InChIInChI=1S/C23H26ClN3O4S/c1-26(2)21(22-10-7-13-31-22)15-25-23(28)19-14-18(11-12-20(19)24)32(29,30)27(3)16-17-8-5-4-6-9-17/h4-14,21H,15-16H2,1-3H3,(H,25,28)
InChIKeyJWVZYKZPFRKHNM-UHFFFAOYSA-N
XLogP3.79
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorobenzenesulfonyl)-N-((furan-2-yl)methyl)piperidine-4-carboxamide
CID 1042562
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3271562
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4845889
2-chloro-N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-6-fluorobenzamide
CID 4879644
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 42601202
2,4-Dichloro-N-furan-2-ylmethyl-5-(morpholine-4-sulfonyl)-benzamide
CID 653205
N-(1-benzofuran-2-ylmethyl)-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 54583681
2-(4-Chloro-benzenesulfonylamino)-N-[(4-fluoro-benzylcarbamoyl)-methyl]-N-furan-2-ylmethyl-acetamide
CID 648457
2-{[2-(4-Chloro-benzenesulfonylamino)-acetyl]-cyclopentyl-amino}-pentanoic acid (furan-2-ylmethyl)-amide
CID 651088
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 655047
2-chloro-5-[(dimethylamino)sulfonyl]-N-(2-furylmethyl)benzamide
CID 891338

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 24542675) is 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)c1ccco1.
What is the InChIKey of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is JWVZYKZPFRKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-26(2)21(22-10-7-13-31-22)15-25-23(28)19-14-18(11-12-20(19)24)32(29,30)27(3)16-17-8-5-4-6-9-17/h4-14,21H,15-16H2,1-3H3,(H,25,28).
What are the key properties of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 476.00 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 24542675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).