N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide

C19H15Cl2FN4O3S — CID 139453339

IUPACN-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1c(F)cccc1NC1CC1)c1cn(-c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C19H15Cl2FN4O3S/c20-11-6-12(21)8-14(7-11)26-9-17(23-10-26)19(27)25-30(28,29)18-15(22)2-1-3-16(18)24-13-4-5-13/h1-3,6-10,13,24H,4-5H2,(H,25,27)
InChIKeyDYDFZXNQJVPMDK-UHFFFAOYSA-N
MW469.33 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide

N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide (PubChem CID 139453339) has the molecular formula C19H15Cl2FN4O3S and a molecular weight of 469.33 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
PubChem CID139453339
Molecular FormulaC19H15Cl2FN4O3S
Molecular Weight469.33 g/mol
Exact Mass468.02
IUPAC NameN-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1c(F)cccc1NC1CC1)c1cn(-c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C19H15Cl2FN4O3S/c20-11-6-12(21)8-14(7-11)26-9-17(23-10-26)19(27)25-30(28,29)18-15(22)2-1-3-16(18)24-13-4-5-13/h1-3,6-10,13,24H,4-5H2,(H,25,27)
InChIKeyDYDFZXNQJVPMDK-UHFFFAOYSA-N
XLogP4.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide (CID 139453339) is N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide is O=C(NS(=O)(=O)c1c(F)cccc1NC1CC1)c1cn(-c2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
The InChIKey is DYDFZXNQJVPMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN4O3S/c20-11-6-12(21)8-14(7-11)26-9-17(23-10-26)19(27)25-30(28,29)18-15(22)2-1-3-16(18)24-13-4-5-13/h1-3,6-10,13,24H,4-5H2,(H,25,27).
What are the key properties of N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide?
N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide has a molecular weight of 469.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).