N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

C20H18ClF2N3O4S — CID 155116091

IUPACN-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCCCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)c1
InChIInChI=1S/C20H18ClF2N3O4S/c1-3-9-30-12-7-8-13(21)17(10-12)31(28,29)25-20(27)16-11-26(2)19(24-16)18-14(22)5-4-6-15(18)23/h4-8,10-11H,3,9H2,1-2H3,(H,25,27)
InChIKeyDSIQHUXXINNLAW-UHFFFAOYSA-N
MW469.90 g/mol
LogP3.93
Rot. Bonds7

About N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116091) has the molecular formula C20H18ClF2N3O4S and a molecular weight of 469.90 g/mol. Its IUPAC name is N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116091
Molecular FormulaC20H18ClF2N3O4S
Molecular Weight469.90 g/mol
Exact Mass469.07
IUPAC NameN-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCCCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)c1
InChIInChI=1S/C20H18ClF2N3O4S/c1-3-9-30-12-7-8-13(21)17(10-12)31(28,29)25-20(27)16-11-26(2)19(24-16)18-14(22)5-4-6-15(18)23/h4-8,10-11H,3,9H2,1-2H3,(H,25,27)
InChIKeyDSIQHUXXINNLAW-UHFFFAOYSA-N
XLogP3.93
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 53.93
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-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (CID 155116091) is N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is CCCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)c1.
What is the InChIKey of N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is DSIQHUXXINNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O4S/c1-3-9-30-12-7-8-13(21)17(10-12)31(28,29)25-20(27)16-11-26(2)19(24-16)18-14(22)5-4-6-15(18)23/h4-8,10-11H,3,9H2,1-2H3,(H,25,27).
What are the key properties of N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 469.90 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).