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

C17H12ClF2N3O4S — CID 139453206

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

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide (PubChem CID 139453206) has the molecular formula C17H12ClF2N3O4S and a molecular weight of 427.82 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide
PubChem CID139453206
Molecular FormulaC17H12ClF2N3O4S
Molecular Weight427.82 g/mol
Exact Mass427.02
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)cn2)c1
InChIInChI=1S/C17H12ClF2N3O4S/c1-27-13-2-3-14(18)16(7-13)28(25,26)22-17(24)15-8-23(9-21-15)12-5-10(19)4-11(20)6-12/h2-9H,1H3,(H,22,24)
InChIKeyRCSVNZHWORNHJP-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide (CID 139453206) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)cn2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide?
The InChIKey is RCSVNZHWORNHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O4S/c1-27-13-2-3-14(18)16(7-13)28(25,26)22-17(24)15-8-23(9-21-15)12-5-10(19)4-11(20)6-12/h2-9H,1H3,(H,22,24).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-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 N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).