N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide

C18H14Cl2N2O3S2 — CID 70122226

IUPACN-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cccc(Cl)c2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O3S2/c1-11-10-26-17(18(23)21-14-4-2-3-13(20)9-14)16(11)22-27(24,25)15-7-5-12(19)6-8-15/h2-10,22H,1H3,(H,21,23)
InChIKeyDTEAPVIAECHQMT-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.42
Rot. Bonds5

About N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide

N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide (PubChem CID 70122226) has the molecular formula C18H14Cl2N2O3S2 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide
PubChem CID70122226
Molecular FormulaC18H14Cl2N2O3S2
Molecular Weight441.36 g/mol
Exact Mass439.98
IUPAC NameN-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cccc(Cl)c2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O3S2/c1-11-10-26-17(18(23)21-14-4-2-3-13(20)9-14)16(11)22-27(24,25)15-7-5-12(19)6-8-15/h2-10,22H,1H3,(H,21,23)
InChIKeyDTEAPVIAECHQMT-UHFFFAOYSA-N
XLogP5.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 70129893
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide (CID 70122226) is N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2cccc(Cl)c2)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide?
The InChIKey is DTEAPVIAECHQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S2/c1-11-10-26-17(18(23)21-14-4-2-3-13(20)9-14)16(11)22-27(24,25)15-7-5-12(19)6-8-15/h2-10,22H,1H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide?
N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide has a molecular weight of 441.36 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 70122226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).