N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide

C12H17ClN2O4S — CID 110343385

IUPACN-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-15(2)20(17,18)7-6-12(16)14-9-4-5-11(19-3)10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyZXOICAPXHQXXNR-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.57
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide (PubChem CID 110343385) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
PubChem CID110343385
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-15(2)20(17,18)7-6-12(16)14-9-4-5-11(19-3)10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyZXOICAPXHQXXNR-UHFFFAOYSA-N
XLogP1.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
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N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide
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3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
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CID 113122543

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide (CID 110343385) is N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide?
The InChIKey is ZXOICAPXHQXXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-15(2)20(17,18)7-6-12(16)14-9-4-5-11(19-3)10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide has a molecular weight of 320.80 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide is sourced from PubChem (CID 110343385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).