N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide

C18H19ClN2O4S — CID 110618400

IUPACN-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-11-5-6-13(12(2)22)9-17(11)20-18(23)15-10-14(7-8-16(15)19)26(24,25)21(3)4/h5-10H,1-4H3,(H,20,23)
InChIKeyCQWZGSMUVAOCMV-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.35
Rot. Bonds5

About N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide

N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide (PubChem CID 110618400) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
PubChem CID110618400
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-11-5-6-13(12(2)22)9-17(11)20-18(23)15-10-14(7-8-16(15)19)26(24,25)21(3)4/h5-10H,1-4H3,(H,20,23)
InChIKeyCQWZGSMUVAOCMV-UHFFFAOYSA-N
XLogP3.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
CID 24580810
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
CID 30723480

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide (CID 110618400) is N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide is CC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
The InChIKey is CQWZGSMUVAOCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-11-5-6-13(12(2)22)9-17(11)20-18(23)15-10-14(7-8-16(15)19)26(24,25)21(3)4/h5-10H,1-4H3,(H,20,23).
What are the key properties of N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 110618400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).