N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide

C11H11ClFN3O2S — CID 22576664

IUPACN-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(F)cc2Cl)cn1C
InChIInChI=1S/C11H11ClFN3O2S/c1-7-14-11(6-16(7)2)19(17,18)15-10-4-3-8(13)5-9(10)12/h3-6,15H,1-2H3
InChIKeyQBNUUHIUMNZJPU-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.32
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 22576664) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID22576664
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(F)cc2Cl)cn1C
InChIInChI=1S/C11H11ClFN3O2S/c1-7-14-11(6-16(7)2)19(17,18)15-10-4-3-8(13)5-9(10)12/h3-6,15H,1-2H3
InChIKeyQBNUUHIUMNZJPU-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 22576664) is N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc(F)cc2Cl)cn1C.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is QBNUUHIUMNZJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-7-14-11(6-16(7)2)19(17,18)15-10-4-3-8(13)5-9(10)12/h3-6,15H,1-2H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 22576664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).