2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide

C11H10ClF2N3O3S — CID 71851999

IUPAC2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1c(F)cc(NS(=O)(=O)c2cn(C)c(Cl)n2)cc1F
InChIInChI=1S/C11H10ClF2N3O3S/c1-17-5-9(15-11(17)12)21(18,19)16-6-3-7(13)10(20-2)8(14)4-6/h3-5,16H,1-2H3
InChIKeyVHZIJHJKMMLJAE-UHFFFAOYSA-N
MW337.74 g/mol
LogP2.16
Rot. Bonds4

About 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide

2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 71851999) has the molecular formula C11H10ClF2N3O3S and a molecular weight of 337.74 g/mol. Its IUPAC name is 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID71851999
Molecular FormulaC11H10ClF2N3O3S
Molecular Weight337.74 g/mol
Exact Mass337.01
IUPAC Name2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1c(F)cc(NS(=O)(=O)c2cn(C)c(Cl)n2)cc1F
InChIInChI=1S/C11H10ClF2N3O3S/c1-17-5-9(15-11(17)12)21(18,19)16-6-3-7(13)10(20-2)8(14)4-6/h3-5,16H,1-2H3
InChIKeyVHZIJHJKMMLJAE-UHFFFAOYSA-N
XLogP2.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide (CID 71851999) is 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide is COc1c(F)cc(NS(=O)(=O)c2cn(C)c(Cl)n2)cc1F.
What is the InChIKey of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is VHZIJHJKMMLJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O3S/c1-17-5-9(15-11(17)12)21(18,19)16-6-3-7(13)10(20-2)8(14)4-6/h3-5,16H,1-2H3.
What are the key properties of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 337.74 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71851999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).