1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide

C17H12ClF2N3O4S — CID 139453027

IUPAC1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)cn2)c1
InChIInChI=1S/C17H12ClF2N3O4S/c1-27-13-2-3-14(20)16(7-13)28(25,26)22-17(24)15-8-23(9-21-15)12-5-10(18)4-11(19)6-12/h2-9H,1H3,(H,22,24)
InChIKeyAAHOZJREDPNSHK-UHFFFAOYSA-N
MW427.82 g/mol
LogP2.93
Rot. Bonds5

About 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide

1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide (PubChem CID 139453027) has the molecular formula C17H12ClF2N3O4S and a molecular weight of 427.82 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
PubChem CID139453027
Molecular FormulaC17H12ClF2N3O4S
Molecular Weight427.82 g/mol
Exact Mass427.02
IUPAC Name1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)cn2)c1
InChIInChI=1S/C17H12ClF2N3O4S/c1-27-13-2-3-14(20)16(7-13)28(25,26)22-17(24)15-8-23(9-21-15)12-5-10(18)4-11(19)6-12/h2-9H,1H3,(H,22,24)
InChIKeyAAHOZJREDPNSHK-UHFFFAOYSA-N
XLogP2.93
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Fluazaindolizine
CID 46944253
CID 134789881
CID 134789881
3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide
CID 17419714
N-[(2-chloro-5-methoxyphenyl)sulfonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 56952251
CID 90332087
CID 90332087
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 90900083
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(1-fluoroethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 123742020
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide
CID 139451164
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139451192
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide
CID 139452883
N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 139452905
N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452909

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide (CID 139453027) is 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide is COc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)cn2)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is AAHOZJREDPNSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O4S/c1-27-13-2-3-14(20)16(7-13)28(25,26)22-17(24)15-8-23(9-21-15)12-5-10(18)4-11(19)6-12/h2-9H,1H3,(H,22,24).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 427.82 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 139453027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).