5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

C14H10ClF6N3O4S — CID 139452908

IUPAC5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ncn(CCC(F)(F)F)c1Cl
InChIInChI=1S/C14H10ClF6N3O4S/c15-11-10(22-7-24(11)6-5-13(16,17)18)12(25)23-29(26,27)9-3-1-8(2-4-9)28-14(19,20)21/h1-4,7H,5-6H2,(H,23,25)
InChIKeyHWHKDMBNROITPU-UHFFFAOYSA-N
MW465.76 g/mol
LogP3.51
Rot. Bonds6

About 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (PubChem CID 139452908) has the molecular formula C14H10ClF6N3O4S and a molecular weight of 465.76 g/mol. Its IUPAC name is 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
PubChem CID139452908
Molecular FormulaC14H10ClF6N3O4S
Molecular Weight465.76 g/mol
Exact Mass465.00
IUPAC Name5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ncn(CCC(F)(F)F)c1Cl
InChIInChI=1S/C14H10ClF6N3O4S/c15-11-10(22-7-24(11)6-5-13(16,17)18)12(25)23-29(26,27)9-3-1-8(2-4-9)28-14(19,20)21/h1-4,7H,5-6H2,(H,23,25)
InChIKeyHWHKDMBNROITPU-UHFFFAOYSA-N
XLogP3.51
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (CID 139452908) is 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ncn(CCC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The InChIKey is HWHKDMBNROITPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF6N3O4S/c15-11-10(22-7-24(11)6-5-13(16,17)18)12(25)23-29(26,27)9-3-1-8(2-4-9)28-14(19,20)21/h1-4,7H,5-6H2,(H,23,25).
What are the key properties of 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide has a molecular weight of 465.76 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 139452908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).