4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide

C21H26ClN3O4S — CID 55611853

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-14(2)25(5)21(27)16-8-6-15(7-9-16)13-23-20(26)17-10-11-18(22)19(12-17)30(28,29)24(3)4/h6-12,14H,13H2,1-5H3,(H,23,26)
InChIKeyMSIKOAPRUYLOMJ-UHFFFAOYSA-N
MW451.98 g/mol
LogP3.00
Rot. Bonds7

About 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide (PubChem CID 55611853) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
PubChem CID55611853
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-14(2)25(5)21(27)16-8-6-15(7-9-16)13-23-20(26)17-10-11-18(22)19(12-17)30(28,29)24(3)4/h6-12,14H,13H2,1-5H3,(H,23,26)
InChIKeyMSIKOAPRUYLOMJ-UHFFFAOYSA-N
XLogP3.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704
4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 33305283
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798173
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 46349145
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide (CID 55611853) is 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide is CC(C)N(C)C(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide?
The InChIKey is MSIKOAPRUYLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-14(2)25(5)21(27)16-8-6-15(7-9-16)13-23-20(26)17-10-11-18(22)19(12-17)30(28,29)24(3)4/h6-12,14H,13H2,1-5H3,(H,23,26).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide has a molecular weight of 451.98 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 55611853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).