N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide

C12H17ClN2O3S — CID 110343380

IUPACN-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)N(C)C
InChIInChI=1S/C12H17ClN2O3S/c1-9-4-5-10(13)8-11(9)14-12(16)6-7-19(17,18)15(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyZGSWEFWXBBNJTJ-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.87
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide

N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide (PubChem CID 110343380) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
PubChem CID110343380
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)N(C)C
InChIInChI=1S/C12H17ClN2O3S/c1-9-4-5-10(13)8-11(9)14-12(16)6-7-19(17,18)15(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyZGSWEFWXBBNJTJ-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide (CID 110343380) is N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)N(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide?
The InChIKey is ZGSWEFWXBBNJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9-4-5-10(13)8-11(9)14-12(16)6-7-19(17,18)15(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide has a molecular weight of 304.80 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide is sourced from PubChem (CID 110343380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).