5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide

C15H14Cl2F3N3O4S — CID 139452987

IUPAC5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(C(C)CC(F)(F)F)c2Cl)c1
InChIInChI=1S/C15H14Cl2F3N3O4S/c1-8(6-15(18,19)20)23-7-21-12(13(23)17)14(24)22-28(25,26)11-5-9(27-2)3-4-10(11)16/h3-5,7-8H,6H2,1-2H3,(H,22,24)
InChIKeyMFMATWMNPPOYFD-UHFFFAOYSA-N
MW460.26 g/mol
LogP3.83
Rot. Bonds6

About 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide

5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide (PubChem CID 139452987) has the molecular formula C15H14Cl2F3N3O4S and a molecular weight of 460.26 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide
PubChem CID139452987
Molecular FormulaC15H14Cl2F3N3O4S
Molecular Weight460.26 g/mol
Exact Mass459.00
IUPAC Name5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(C(C)CC(F)(F)F)c2Cl)c1
InChIInChI=1S/C15H14Cl2F3N3O4S/c1-8(6-15(18,19)20)23-7-21-12(13(23)17)14(24)22-28(25,26)11-5-9(27-2)3-4-10(11)16/h3-5,7-8H,6H2,1-2H3,(H,22,24)
InChIKeyMFMATWMNPPOYFD-UHFFFAOYSA-N
XLogP3.83
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide (CID 139452987) is 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(C(C)CC(F)(F)F)c2Cl)c1.
What is the InChIKey of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide?
The InChIKey is MFMATWMNPPOYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F3N3O4S/c1-8(6-15(18,19)20)23-7-21-12(13(23)17)14(24)22-28(25,26)11-5-9(27-2)3-4-10(11)16/h3-5,7-8H,6H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide?
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide has a molecular weight of 460.26 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 139452987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).