N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide

C10H9ClFN3O2S — CID 53007777

IUPACN-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C10H9ClFN3O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-9(12)8(11)4-7/h2-6,14H,1H3
InChIKeyBZYDAFHZAREVEX-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.01
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide

N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 53007777) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID53007777
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C10H9ClFN3O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-9(12)8(11)4-7/h2-6,14H,1H3
InChIKeyBZYDAFHZAREVEX-UHFFFAOYSA-N
XLogP2.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide (CID 53007777) is N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is BZYDAFHZAREVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-9(12)8(11)4-7/h2-6,14H,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 289.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 53007777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).