4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide

C21H18Cl2N2O3S — CID 23825383

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-25(14-15-5-3-2-4-6-15)29(27,28)20-9-7-16(8-10-20)21(26)24-19-12-17(22)11-18(23)13-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyCCTBRWSECCPBLV-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.07
Rot. Bonds6

About 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide

4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide (PubChem CID 23825383) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
PubChem CID23825383
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-25(14-15-5-3-2-4-6-15)29(27,28)20-9-7-16(8-10-20)21(26)24-19-12-17(22)11-18(23)13-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyCCTBRWSECCPBLV-UHFFFAOYSA-N
XLogP5.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 126327645
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810023
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide (CID 23825383) is 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide?
The InChIKey is CCTBRWSECCPBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-25(14-15-5-3-2-4-6-15)29(27,28)20-9-7-16(8-10-20)21(26)24-19-12-17(22)11-18(23)13-19/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide has a molecular weight of 449.36 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide is sourced from PubChem (CID 23825383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).