2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

C26H23ClN2O4S — CID 1287570

IUPAC2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H23ClN2O4S/c1-19-8-14-23(15-9-19)34(31,32)29(18-20-10-12-21(27)13-11-20)25-7-3-2-6-24(25)26(30)28-17-22-5-4-16-33-22/h2-16H,17-18H2,1H3,(H,28,30)
InChIKeyJMRLNFAMJMGKAM-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.57
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1287570) has the molecular formula C26H23ClN2O4S and a molecular weight of 495.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1287570
Molecular FormulaC26H23ClN2O4S
Molecular Weight495.00 g/mol
Exact Mass494.11
IUPAC Name2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H23ClN2O4S/c1-19-8-14-23(15-9-19)34(31,32)29(18-20-10-12-21(27)13-11-20)25-7-3-2-6-24(25)26(30)28-17-22-5-4-16-33-22/h2-16H,17-18H2,1H3,(H,28,30)
InChIKeyJMRLNFAMJMGKAM-UHFFFAOYSA-N
XLogP5.57
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-(furan-2-ylmethylazaniumyl)-5-sulfamoylbenzoate
CID 118985385
N-Furan-2-ylmethyl-4-[4-(4-methoxy-phenyl)-piperazine-1-sulfonyl]-benzamide
CID 652023
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2704666
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3271562
4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3314293
3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 5206502
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 42601202
2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
CID 1342976
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 1314948
N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 654829
2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
CID 1085670

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (CID 1287570) is 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is JMRLNFAMJMGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4S/c1-19-8-14-23(15-9-19)34(31,32)29(18-20-10-12-21(27)13-11-20)25-7-3-2-6-24(25)26(30)28-17-22-5-4-16-33-22/h2-16H,17-18H2,1H3,(H,28,30).
What are the key properties of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 495.00 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1287570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).