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

C18H12Cl2F3N3O4S — CID 139453052

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3ccc(C(F)(F)F)cc3Cl)cn2)c1
InChIInChI=1S/C18H12Cl2F3N3O4S/c1-30-11-3-4-12(19)16(7-11)31(28,29)25-17(27)14-8-26(9-24-14)15-5-2-10(6-13(15)20)18(21,22)23/h2-9H,1H3,(H,25,27)
InChIKeyWLKMZGHNNPXDTC-UHFFFAOYSA-N
MW494.28 g/mol
LogP4.33
Rot. Bonds5

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453052) has the molecular formula C18H12Cl2F3N3O4S and a molecular weight of 494.28 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453052
Molecular FormulaC18H12Cl2F3N3O4S
Molecular Weight494.28 g/mol
Exact Mass492.99
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3ccc(C(F)(F)F)cc3Cl)cn2)c1
InChIInChI=1S/C18H12Cl2F3N3O4S/c1-30-11-3-4-12(19)16(7-11)31(28,29)25-17(27)14-8-26(9-24-14)15-5-2-10(6-13(15)20)18(21,22)23/h2-9H,1H3,(H,25,27)
InChIKeyWLKMZGHNNPXDTC-UHFFFAOYSA-N
XLogP4.33
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453052) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3ccc(C(F)(F)F)cc3Cl)cn2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is WLKMZGHNNPXDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O4S/c1-30-11-3-4-12(19)16(7-11)31(28,29)25-17(27)14-8-26(9-24-14)15-5-2-10(6-13(15)20)18(21,22)23/h2-9H,1H3,(H,25,27).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 494.28 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).