N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide

C21H18Cl2N2O3S — CID 26899296

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-25(14-15-5-3-2-4-6-15)29(27,28)18-10-8-17(9-11-18)24-21(26)19-13-16(22)7-12-20(19)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyFDNHSCLRFUYMMQ-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.07
Rot. Bonds6

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide (PubChem CID 26899296) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
PubChem CID26899296
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-25(14-15-5-3-2-4-6-15)29(27,28)18-10-8-17(9-11-18)24-21(26)19-13-16(22)7-12-20(19)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyFDNHSCLRFUYMMQ-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

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-dibenzofuran-2-ylbenzamide
CID 16552391
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 4068448
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810023
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257534
2-(2-amino-2-oxoethoxy)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]benzamide
CID 24524423
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide (CID 26899296) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide?
The InChIKey is FDNHSCLRFUYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-25(14-15-5-3-2-4-6-15)29(27,28)18-10-8-17(9-11-18)24-21(26)19-13-16(22)7-12-20(19)23/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide 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 N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 26899296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).