N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide

C20H16Cl2N2O3S — CID 46529076

IUPACN-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H16Cl2N2O3S/c21-16-5-3-4-14(12-16)13-23-20(25)15-8-10-17(11-9-15)28(26,27)24-19-7-2-1-6-18(19)22/h1-12,24H,13H2,(H,23,25)
InChIKeyTXZHRNVKAHCQHH-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.72
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide

N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide (PubChem CID 46529076) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
PubChem CID46529076
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H16Cl2N2O3S/c21-16-5-3-4-14(12-16)13-23-20(25)15-8-10-17(11-9-15)28(26,27)24-19-7-2-1-6-18(19)22/h1-12,24H,13H2,(H,23,25)
InChIKeyTXZHRNVKAHCQHH-UHFFFAOYSA-N
XLogP4.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 32815386
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-[(3-chlorophenyl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46532012
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide (CID 46529076) is N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide is O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is TXZHRNVKAHCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c21-16-5-3-4-14(12-16)13-23-20(25)15-8-10-17(11-9-15)28(26,27)24-19-7-2-1-6-18(19)22/h1-12,24H,13H2,(H,23,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide?
N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 435.33 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46529076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).