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

C15H12Cl2F3N3O4S — CID 139452890

IUPAC5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(C3CC3C(F)(F)F)c2Cl)c1
InChIInChI=1S/C15H12Cl2F3N3O4S/c1-27-7-2-3-9(16)11(4-7)28(25,26)22-14(24)12-13(17)23(6-21-12)10-5-8(10)15(18,19)20/h2-4,6,8,10H,5H2,1H3,(H,22,24)
InChIKeyBRYASQQGNPNAAH-UHFFFAOYSA-N
MW458.25 g/mol
LogP3.44
Rot. Bonds5

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

5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (PubChem CID 139452890) has the molecular formula C15H12Cl2F3N3O4S and a molecular weight of 458.25 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
PubChem CID139452890
Molecular FormulaC15H12Cl2F3N3O4S
Molecular Weight458.25 g/mol
Exact Mass456.99
IUPAC Name5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(C3CC3C(F)(F)F)c2Cl)c1
InChIInChI=1S/C15H12Cl2F3N3O4S/c1-27-7-2-3-9(16)11(4-7)28(25,26)22-14(24)12-13(17)23(6-21-12)10-5-8(10)15(18,19)20/h2-4,6,8,10H,5H2,1H3,(H,22,24)
InChIKeyBRYASQQGNPNAAH-UHFFFAOYSA-N
XLogP3.44
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.25
LogP ≤ 53.44
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-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide (CID 139452890) is 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide is COc1ccc(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-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
The InChIKey is BRYASQQGNPNAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N3O4S/c1-27-7-2-3-9(16)11(4-7)28(25,26)22-14(24)12-13(17)23(6-21-12)10-5-8(10)15(18,19)20/h2-4,6,8,10H,5H2,1H3,(H,22,24).
What are the key properties of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide?
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide has a molecular weight of 458.25 g/mol, XLogP of 3.44, 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-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).