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

C17H10Cl2F3N3O3S — CID 139452977

IUPACN-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(Cl)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H10Cl2F3N3O3S/c18-11-5-10(17(20,21)22)6-12(7-11)25-8-14(23-9-25)16(26)24-29(27,28)15-4-2-1-3-13(15)19/h1-9H,(H,24,26)
InChIKeyWXUHZPPXEZJXFX-UHFFFAOYSA-N
MW464.25 g/mol
LogP4.32
Rot. Bonds4

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

N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139452977) has the molecular formula C17H10Cl2F3N3O3S and a molecular weight of 464.25 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139452977
Molecular FormulaC17H10Cl2F3N3O3S
Molecular Weight464.25 g/mol
Exact Mass462.98
IUPAC NameN-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(Cl)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H10Cl2F3N3O3S/c18-11-5-10(17(20,21)22)6-12(7-11)25-8-14(23-9-25)16(26)24-29(27,28)15-4-2-1-3-13(15)19/h1-9H,(H,24,26)
InChIKeyWXUHZPPXEZJXFX-UHFFFAOYSA-N
XLogP4.32
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139452977) is N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(Cl)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is WXUHZPPXEZJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O3S/c18-11-5-10(17(20,21)22)6-12(7-11)25-8-14(23-9-25)16(26)24-29(27,28)15-4-2-1-3-13(15)19/h1-9H,(H,24,26).
What are the key properties of N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 464.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).