N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C18H21ClN2O3S — CID 26701236

IUPACN-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-8-14(10-17(13(11)3)25(23,24)21(4)5)18(22)20-16-7-6-15(19)9-12(16)2/h6-10H,1-5H3,(H,20,22)
InChIKeyLQRYAERIGTXXQU-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 26701236) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID26701236
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-8-14(10-17(13(11)3)25(23,24)21(4)5)18(22)20-16-7-6-15(19)9-12(16)2/h6-10H,1-5H3,(H,20,22)
InChIKeyLQRYAERIGTXXQU-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
CID 30272949
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34136281
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
N-(5-carbamoyl-2-methoxyphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55783419
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237996
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
CID 51337793

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 26701236) is N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(Cl)ccc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is LQRYAERIGTXXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-11-8-14(10-17(13(11)3)25(23,24)21(4)5)18(22)20-16-7-6-15(19)9-12(16)2/h6-10H,1-5H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 380.90 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 26701236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).