3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

C25H21ClN2O4S — CID 2704667

IUPAC3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C25H21ClN2O4S/c26-23-13-4-5-14-24(23)28(18-19-8-2-1-3-9-19)33(30,31)22-12-6-10-20(16-22)25(29)27-17-21-11-7-15-32-21/h1-16H,17-18H2,(H,27,29)
InChIKeyWRWDXXAOZDLAQA-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.26
Rot. Bonds8

About 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 2704667) has the molecular formula C25H21ClN2O4S and a molecular weight of 480.97 g/mol. Its IUPAC name is 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID2704667
Molecular FormulaC25H21ClN2O4S
Molecular Weight480.97 g/mol
Exact Mass480.09
IUPAC Name3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C25H21ClN2O4S/c26-23-13-4-5-14-24(23)28(18-19-8-2-1-3-9-19)33(30,31)22-12-6-10-20(16-22)25(29)27-17-21-11-7-15-32-21/h1-16H,17-18H2,(H,27,29)
InChIKeyWRWDXXAOZDLAQA-UHFFFAOYSA-N
XLogP5.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.97
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
CID 30752481
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771472
3-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 26909549
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
naphthalen-1-yl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2397579
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834776
2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2469428
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 2496817
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (CID 2704667) is 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1.
What is the InChIKey of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WRWDXXAOZDLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4S/c26-23-13-4-5-14-24(23)28(18-19-8-2-1-3-9-19)33(30,31)22-12-6-10-20(16-22)25(29)27-17-21-11-7-15-32-21/h1-16H,17-18H2,(H,27,29).
What are the key properties of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 480.97 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 2704667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).