N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide

C19H16Cl2N2O4S2 — CID 30849036

IUPACN-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C19H16Cl2N2O4S2/c1-23(14-6-3-12(20)4-7-14)29(25,26)17-9-10-28-18(17)19(24)22-13-5-8-16(27-2)15(21)11-13/h3-11H,1-2H3,(H,22,24)
InChIKeyPPAWSBVSLAYLDQ-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.14
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 30849036) has the molecular formula C19H16Cl2N2O4S2 and a molecular weight of 471.39 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
PubChem CID30849036
Molecular FormulaC19H16Cl2N2O4S2
Molecular Weight471.39 g/mol
Exact Mass469.99
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C19H16Cl2N2O4S2/c1-23(14-6-3-12(20)4-7-14)29(25,26)17-9-10-28-18(17)19(24)22-13-5-8-16(27-2)15(21)11-13/h3-11H,1-2H3,(H,22,24)
InChIKeyPPAWSBVSLAYLDQ-UHFFFAOYSA-N
XLogP5.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 50928100
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 53061856
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664148
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749
N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061732

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide (CID 30849036) is N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is PPAWSBVSLAYLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S2/c1-23(14-6-3-12(20)4-7-14)29(25,26)17-9-10-28-18(17)19(24)22-13-5-8-16(27-2)15(21)11-13/h3-11H,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 30849036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).