N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide

C16H12Cl3N3O3S2 — CID 57171958

IUPACN-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3N3O3S2/c1-9-20-13(8-22(9)7-10-2-3-11(17)6-12(10)18)16(23)21-27(24,25)15-5-4-14(19)26-15/h2-6,8H,7H2,1H3,(H,21,23)
InChIKeyUNIVLIBTLIRELV-UHFFFAOYSA-N
MW464.78 g/mol
LogP4.38
Rot. Bonds5

About N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide

N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide (PubChem CID 57171958) has the molecular formula C16H12Cl3N3O3S2 and a molecular weight of 464.78 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
PubChem CID57171958
Molecular FormulaC16H12Cl3N3O3S2
Molecular Weight464.78 g/mol
Exact Mass462.94
IUPAC NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3N3O3S2/c1-9-20-13(8-22(9)7-10-2-3-11(17)6-12(10)18)16(23)21-27(24,25)15-5-4-14(19)26-15/h2-6,8H,7H2,1H3,(H,21,23)
InChIKeyUNIVLIBTLIRELV-UHFFFAOYSA-N
XLogP4.38
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.78
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-1-[(2-bromo-4-chlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57191039
N-(benzenesulfonyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]-2-methylimidazole-4-carboxamide
CID 57055043
N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57001214
N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
CID 57024268
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 22388206
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22772042
N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide
CID 57112139
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-pentylsulfonylprop-2-enamide
CID 21198572
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
1-[[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]methyl]-2-methyl-4-[pentyl(sulfinato)carbamoyl]imidazole
CID 174435702

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide (CID 57171958) is N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide is Cc1nc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide?
The InChIKey is UNIVLIBTLIRELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O3S2/c1-9-20-13(8-22(9)7-10-2-3-11(17)6-12(10)18)16(23)21-27(24,25)15-5-4-14(19)26-15/h2-6,8H,7H2,1H3,(H,21,23).
What are the key properties of N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide?
N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide has a molecular weight of 464.78 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 57171958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).