1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide

C19H16Cl2FN3O4S — CID 139453030

IUPAC1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)cn2)c1
InChIInChI=1S/C19H16Cl2FN3O4S/c1-11(2)29-15-3-4-16(21)18(8-15)30(27,28)24-19(26)17-9-25(10-23-17)14-6-12(20)5-13(22)7-14/h3-11H,1-2H3,(H,24,26)
InChIKeyALXDDLZCNVCSJN-UHFFFAOYSA-N
MW472.33 g/mol
LogP4.22
Rot. Bonds6

About 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide

1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide (PubChem CID 139453030) has the molecular formula C19H16Cl2FN3O4S and a molecular weight of 472.33 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide
PubChem CID139453030
Molecular FormulaC19H16Cl2FN3O4S
Molecular Weight472.33 g/mol
Exact Mass471.02
IUPAC Name1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)cn2)c1
InChIInChI=1S/C19H16Cl2FN3O4S/c1-11(2)29-15-3-4-16(21)18(8-15)30(27,28)24-19(26)17-9-25(10-23-17)14-6-12(20)5-13(22)7-14/h3-11H,1-2H3,(H,24,26)
InChIKeyALXDDLZCNVCSJN-UHFFFAOYSA-N
XLogP4.22
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
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5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139452998
1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide (CID 139453030) is 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide is CC(C)Oc1ccc(Cl)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-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is ALXDDLZCNVCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O4S/c1-11(2)29-15-3-4-16(21)18(8-15)30(27,28)24-19(26)17-9-25(10-23-17)14-6-12(20)5-13(22)7-14/h3-11H,1-2H3,(H,24,26).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide?
1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 472.33 g/mol, XLogP of 4.22, 6 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-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 139453030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).