4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide

C26H22ClN3O5S — CID 4234401

IUPAC4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C26H22ClN3O5S/c1-17-7-2-4-10-22(17)30-36(33,34)24-15-18(12-13-21(24)27)25(31)29-23-11-5-3-9-20(23)26(32)28-16-19-8-6-14-35-19/h2-15,30H,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyBHXFGPNARDUDKX-UHFFFAOYSA-N
MW524.00 g/mol
LogP5.22
Rot. Bonds8

About 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide

4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 4234401) has the molecular formula C26H22ClN3O5S and a molecular weight of 524.00 g/mol. Its IUPAC name is 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID4234401
Molecular FormulaC26H22ClN3O5S
Molecular Weight524.00 g/mol
Exact Mass523.10
IUPAC Name4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C26H22ClN3O5S/c1-17-7-2-4-10-22(17)30-36(33,34)24-15-18(12-13-21(24)27)25(31)29-23-11-5-3-9-20(23)26(32)28-16-19-8-6-14-35-19/h2-15,30H,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyBHXFGPNARDUDKX-UHFFFAOYSA-N
XLogP5.22
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.00
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410
N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 126415159
3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 100711529
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 126413403
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 4234401) is 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is BHXFGPNARDUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5S/c1-17-7-2-4-10-22(17)30-36(33,34)24-15-18(12-13-21(24)27)25(31)29-23-11-5-3-9-20(23)26(32)28-16-19-8-6-14-35-19/h2-15,30H,16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 524.00 g/mol, XLogP of 5.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4234401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).