5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C18H13ClF3N3O4S — CID 139453291

IUPAC5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ncn(-c3ccccc3C(F)(F)F)c2Cl)cc1
InChIInChI=1S/C18H13ClF3N3O4S/c1-29-11-6-8-12(9-7-11)30(27,28)24-17(26)15-16(19)25(10-23-15)14-5-3-2-4-13(14)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyLOHCIMNSNGOJHD-UHFFFAOYSA-N
MW459.83 g/mol
LogP3.67
Rot. Bonds5

About 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide

5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453291) has the molecular formula C18H13ClF3N3O4S and a molecular weight of 459.83 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453291
Molecular FormulaC18H13ClF3N3O4S
Molecular Weight459.83 g/mol
Exact Mass459.03
IUPAC Name5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ncn(-c3ccccc3C(F)(F)F)c2Cl)cc1
InChIInChI=1S/C18H13ClF3N3O4S/c1-29-11-6-8-12(9-7-11)30(27,28)24-17(26)15-16(19)25(10-23-15)14-5-3-2-4-13(14)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyLOHCIMNSNGOJHD-UHFFFAOYSA-N
XLogP3.67
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453335
[4-[[5-chloro-1-(3,3,3-trifluoropropyl)imidazole-4-carbonyl]sulfamoyl]phenyl] acetate
CID 139452941
N-(4-butoxyphenyl)sulfonyl-5-chloro-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452881
N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide
CID 139452923
4-hydroxy-N,3-bis-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]-1H-triazole-5-carboxamide
CID 171977994
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453250
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
methyl 2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoate
CID 30886860
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55834263
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453291) is 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2ncn(-c3ccccc3C(F)(F)F)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is LOHCIMNSNGOJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O4S/c1-29-11-6-8-12(9-7-11)30(27,28)24-17(26)15-16(19)25(10-23-15)14-5-3-2-4-13(14)18(20,21)22/h2-10H,1H3,(H,24,26).
What are the key properties of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 459.83 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).