N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide

C11H17F2N3O2S — CID 121194127

IUPACN-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1C
InChIInChI=1S/C11H17F2N3O2S/c1-8-14-10(7-16(8)2)19(17,18)15-9-3-5-11(12,13)6-4-9/h7,9,15H,3-6H2,1-2H3
InChIKeyHCHCBVCGVZBLJP-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.58
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide

N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 121194127) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID121194127
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC NameN-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1C
InChIInChI=1S/C11H17F2N3O2S/c1-8-14-10(7-16(8)2)19(17,18)15-9-3-5-11(12,13)6-4-9/h7,9,15H,3-6H2,1-2H3
InChIKeyHCHCBVCGVZBLJP-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide (CID 121194127) is N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2CCC(F)(F)CC2)cn1C.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is HCHCBVCGVZBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-8-14-10(7-16(8)2)19(17,18)15-9-3-5-11(12,13)6-4-9/h7,9,15H,3-6H2,1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 293.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 121194127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).