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

C17H16Cl2F3N3O4S — CID 139452998

IUPAC5-chloro-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)c2ncn(C3CC3C(F)(F)F)c2Cl)c1
InChIInChI=1S/C17H16Cl2F3N3O4S/c1-8(2)29-9-3-4-11(18)13(5-9)30(27,28)24-16(26)14-15(19)25(7-23-14)12-6-10(12)17(20,21)22/h3-5,7-8,10,12H,6H2,1-2H3,(H,24,26)
InChIKeyVPAPVIOPQMUWNH-UHFFFAOYSA-N
MW486.30 g/mol
LogP4.22
Rot. Bonds6

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

5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (PubChem CID 139452998) has the molecular formula C17H16Cl2F3N3O4S and a molecular weight of 486.30 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
PubChem CID139452998
Molecular FormulaC17H16Cl2F3N3O4S
Molecular Weight486.30 g/mol
Exact Mass485.02
IUPAC Name5-chloro-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)c2ncn(C3CC3C(F)(F)F)c2Cl)c1
InChIInChI=1S/C17H16Cl2F3N3O4S/c1-8(2)29-9-3-4-11(18)13(5-9)30(27,28)24-16(26)14-15(19)25(7-23-14)12-6-10(12)17(20,21)22/h3-5,7-8,10,12H,6H2,1-2H3,(H,24,26)
InChIKeyVPAPVIOPQMUWNH-UHFFFAOYSA-N
XLogP4.22
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.30
LogP ≤ 54.22
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-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (CID 139452998) is 5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-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)c2ncn(C3CC3C(F)(F)F)c2Cl)c1.
What is the InChIKey of 5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The InChIKey is VPAPVIOPQMUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N3O4S/c1-8(2)29-9-3-4-11(18)13(5-9)30(27,28)24-16(26)14-15(19)25(7-23-14)12-6-10(12)17(20,21)22/h3-5,7-8,10,12H,6H2,1-2H3,(H,24,26).
What are the key properties of 5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide has a molecular weight of 486.30 g/mol, XLogP of 4.22, 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-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).