N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C19H22ClN3O4S — CID 55917241

IUPACN-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C19H22ClN3O4S/c1-11-8-14(9-18(12(11)2)28(26,27)23(4)5)19(25)22-17-10-15(21-13(3)24)6-7-16(17)20/h6-10H,1-5H3,(H,21,24)(H,22,25)
InChIKeyHPSKIYDGVPPAPX-UHFFFAOYSA-N
MW423.92 g/mol
LogP3.42
Rot. Bonds5

About N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 55917241) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID55917241
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C19H22ClN3O4S/c1-11-8-14(9-18(12(11)2)28(26,27)23(4)5)19(25)22-17-10-15(21-13(3)24)6-7-16(17)20/h6-10H,1-5H3,(H,21,24)(H,22,25)
InChIKeyHPSKIYDGVPPAPX-UHFFFAOYSA-N
XLogP3.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
CID 30272949
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46479777
3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 9050460
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34136281
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
CID 51337793
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541
N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55916990

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 55917241) is N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is HPSKIYDGVPPAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-11-8-14(9-18(12(11)2)28(26,27)23(4)5)19(25)22-17-10-15(21-13(3)24)6-7-16(17)20/h6-10H,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 423.92 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 55917241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).