5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide

C14H10Cl2F5N3O4S — CID 139452883

IUPAC5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(CC(F)(F)C(F)(F)F)c2Cl)c1
InChIInChI=1S/C14H10Cl2F5N3O4S/c1-28-7-2-3-8(15)9(4-7)29(26,27)23-12(25)10-11(16)24(6-22-10)5-13(17,18)14(19,20)21/h2-4,6H,5H2,1H3,(H,23,25)
InChIKeyMAQPXCDMSOAUKT-UHFFFAOYSA-N
MW482.21 g/mol
LogP3.51
Rot. Bonds6

About 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide

5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide (PubChem CID 139452883) has the molecular formula C14H10Cl2F5N3O4S and a molecular weight of 482.21 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide
PubChem CID139452883
Molecular FormulaC14H10Cl2F5N3O4S
Molecular Weight482.21 g/mol
Exact Mass480.97
IUPAC Name5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(CC(F)(F)C(F)(F)F)c2Cl)c1
InChIInChI=1S/C14H10Cl2F5N3O4S/c1-28-7-2-3-8(15)9(4-7)29(26,27)23-12(25)10-11(16)24(6-22-10)5-13(17,18)14(19,20)21/h2-4,6H,5H2,1H3,(H,23,25)
InChIKeyMAQPXCDMSOAUKT-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 ≤ 500482.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-5-methoxyphenyl)sulfonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 56952251
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139451192
5-bromo-N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452863
5-chloro-N-[(4-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)sulfonyl]-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452871
5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139452878
5-chloro-N-(4-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide
CID 139452879
N-(4-butoxyphenyl)sulfonyl-5-chloro-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452881
2,5-dichloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452887
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139452890
N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 139452905
5-chloro-N-[4-(trifluoromethoxy)phenyl]sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452908
N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide (CID 139452883) is 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(CC(F)(F)C(F)(F)F)c2Cl)c1.
What is the InChIKey of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide?
The InChIKey is MAQPXCDMSOAUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F5N3O4S/c1-28-7-2-3-8(15)9(4-7)29(26,27)23-12(25)10-11(16)24(6-22-10)5-13(17,18)14(19,20)21/h2-4,6H,5H2,1H3,(H,23,25).
What are the key properties of 5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide?
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide has a molecular weight of 482.21 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-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 139452883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).