N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide

C13H11Cl2NO3S2 — CID 162436580

IUPACN-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H11Cl2NO3S2/c1-21(18,19)12-5-4-11(20-12)13(17)16-7-8-2-3-9(14)6-10(8)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyHOLYMSLFIMGBNB-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.39
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide

N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide (PubChem CID 162436580) has the molecular formula C13H11Cl2NO3S2 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
PubChem CID162436580
Molecular FormulaC13H11Cl2NO3S2
Molecular Weight364.28 g/mol
Exact Mass362.96
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H11Cl2NO3S2/c1-21(18,19)12-5-4-11(20-12)13(17)16-7-8-2-3-9(14)6-10(8)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyHOLYMSLFIMGBNB-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,1-difluoroethyl)-2-methylphenyl]methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 170018103
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436639
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-5-(piperazin-1-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 118112572
N-[(2,4-dichlorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26018814
N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 170018029
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
CID 30148202
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide
CID 22304575

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide (CID 162436580) is N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide is CS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide?
The InChIKey is HOLYMSLFIMGBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S2/c1-21(18,19)12-5-4-11(20-12)13(17)16-7-8-2-3-9(14)6-10(8)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 162436580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).