2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide

C17H15Cl3F3N3O4S — CID 139453175

IUPAC2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(Cl)n(C3CC3C(F)(F)F)c2Cl)c1
InChIInChI=1S/C17H15Cl3F3N3O4S/c1-7(2)30-8-3-4-10(18)12(5-8)31(28,29)25-15(27)13-14(19)26(16(20)24-13)11-6-9(11)17(21,22)23/h3-5,7,9,11H,6H2,1-2H3,(H,25,27)
InChIKeyBWGKWXWEPAIAFU-UHFFFAOYSA-N
MW520.74 g/mol
LogP4.87
Rot. Bonds6

About 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide

2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (PubChem CID 139453175) has the molecular formula C17H15Cl3F3N3O4S and a molecular weight of 520.74 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
PubChem CID139453175
Molecular FormulaC17H15Cl3F3N3O4S
Molecular Weight520.74 g/mol
Exact Mass518.98
IUPAC Name2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(Cl)n(C3CC3C(F)(F)F)c2Cl)c1
InChIInChI=1S/C17H15Cl3F3N3O4S/c1-7(2)30-8-3-4-10(18)12(5-8)31(28,29)25-15(27)13-14(19)26(16(20)24-13)11-6-9(11)17(21,22)23/h3-5,7,9,11H,6H2,1-2H3,(H,25,27)
InChIKeyBWGKWXWEPAIAFU-UHFFFAOYSA-N
XLogP4.87
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.74
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (CID 139453175) is 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide is CC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(Cl)n(C3CC3C(F)(F)F)c2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The InChIKey is BWGKWXWEPAIAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3F3N3O4S/c1-7(2)30-8-3-4-10(18)12(5-8)31(28,29)25-15(27)13-14(19)26(16(20)24-13)11-6-9(11)17(21,22)23/h3-5,7,9,11H,6H2,1-2H3,(H,25,27).
What are the key properties of 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide has a molecular weight of 520.74 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).