N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide

C10H9F2N3O2S — CID 20958621

IUPACN-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C10H9F2N3O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-8(11)9(12)4-7/h2-6,14H,1H3
InChIKeyGOWQTTHDFKVLQQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.50
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide

N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 20958621) has the molecular formula C10H9F2N3O2S and a molecular weight of 273.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID20958621
Molecular FormulaC10H9F2N3O2S
Molecular Weight273.26 g/mol
Exact Mass273.04
IUPAC NameN-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C10H9F2N3O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-8(11)9(12)4-7/h2-6,14H,1H3
InChIKeyGOWQTTHDFKVLQQ-UHFFFAOYSA-N
XLogP1.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide (CID 20958621) is N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is GOWQTTHDFKVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-8(11)9(12)4-7/h2-6,14H,1H3.
What are the key properties of N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide?
N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 273.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).