N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C20H16ClF4N3O4S — CID 139453054

IUPACN-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C20H16ClF4N3O4S/c1-11(2)32-15-3-4-16(21)18(8-15)33(30,31)27-19(29)17-9-28(10-26-17)14-6-12(20(23,24)25)5-13(22)7-14/h3-11H,1-2H3,(H,27,29)
InChIKeyNIKGFJNPPUXVDJ-UHFFFAOYSA-N
MW505.88 g/mol
LogP4.59
Rot. Bonds6

About N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453054) has the molecular formula C20H16ClF4N3O4S and a molecular weight of 505.88 g/mol. Its IUPAC name is N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453054
Molecular FormulaC20H16ClF4N3O4S
Molecular Weight505.88 g/mol
Exact Mass505.05
IUPAC NameN-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C20H16ClF4N3O4S/c1-11(2)32-15-3-4-16(21)18(8-15)33(30,31)27-19(29)17-9-28(10-26-17)14-6-12(20(23,24)25)5-13(22)7-14/h3-11H,1-2H3,(H,27,29)
InChIKeyNIKGFJNPPUXVDJ-UHFFFAOYSA-N
XLogP4.59
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.88
LogP ≤ 54.59
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-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453054) is N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is CC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(C(F)(F)F)c3)cn2)c1.
What is the InChIKey of N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is NIKGFJNPPUXVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF4N3O4S/c1-11(2)32-15-3-4-16(21)18(8-15)33(30,31)27-19(29)17-9-28(10-26-17)14-6-12(20(23,24)25)5-13(22)7-14/h3-11H,1-2H3,(H,27,29).
What are the key properties of N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 505.88 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).