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

C15H13ClF3N3O4S — CID 139452878

IUPAC5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1ncn(C2CC2C(F)(F)F)c1Cl
InChIInChI=1S/C15H13ClF3N3O4S/c1-26-10-4-2-3-5-11(10)27(24,25)21-14(23)12-13(16)22(7-20-12)9-6-8(9)15(17,18)19/h2-5,7-9H,6H2,1H3,(H,21,23)
InChIKeyFFGUDFHAVNSOHL-UHFFFAOYSA-N
MW423.80 g/mol
LogP2.79
Rot. Bonds5

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

5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (PubChem CID 139452878) has the molecular formula C15H13ClF3N3O4S and a molecular weight of 423.80 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
PubChem CID139452878
Molecular FormulaC15H13ClF3N3O4S
Molecular Weight423.80 g/mol
Exact Mass423.03
IUPAC Name5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1ncn(C2CC2C(F)(F)F)c1Cl
InChIInChI=1S/C15H13ClF3N3O4S/c1-26-10-4-2-3-5-11(10)27(24,25)21-14(23)12-13(16)22(7-20-12)9-6-8(9)15(17,18)19/h2-5,7-9H,6H2,1H3,(H,21,23)
InChIKeyFFGUDFHAVNSOHL-UHFFFAOYSA-N
XLogP2.79
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.80
LogP ≤ 52.79
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-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (CID 139452878) is 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide is COc1ccccc1S(=O)(=O)NC(=O)c1ncn(C2CC2C(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The InChIKey is FFGUDFHAVNSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O4S/c1-26-10-4-2-3-5-11(10)27(24,25)21-14(23)12-13(16)22(7-20-12)9-6-8(9)15(17,18)19/h2-5,7-9H,6H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide has a molecular weight of 423.80 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).