N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide

C15H20FN5O3S — CID 90634582

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cn1C
InChIInChI=1S/C15H20FN5O3S/c1-10-19-14(9-21(10)2)25(22,23)20-12-3-5-13(6-4-12)24-15-17-7-11(16)8-18-15/h7-9,12-13,20H,3-6H2,1-2H3
InChIKeyHPDIZWISHZMHIN-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.33
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 90634582) has the molecular formula C15H20FN5O3S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID90634582
Molecular FormulaC15H20FN5O3S
Molecular Weight369.42 g/mol
Exact Mass369.13
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cn1C
InChIInChI=1S/C15H20FN5O3S/c1-10-19-14(9-21(10)2)25(22,23)20-12-3-5-13(6-4-12)24-15-17-7-11(16)8-18-15/h7-9,12-13,20H,3-6H2,1-2H3
InChIKeyHPDIZWISHZMHIN-UHFFFAOYSA-N
XLogP1.33
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide (CID 90634582) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cn1C.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is HPDIZWISHZMHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3S/c1-10-19-14(9-21(10)2)25(22,23)20-12-3-5-13(6-4-12)24-15-17-7-11(16)8-18-15/h7-9,12-13,20H,3-6H2,1-2H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 369.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 90634582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).