N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide

C16H22FN5O3S — CID 90634577

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H22FN5O3S/c1-11(2)22-9-15(20-10-22)26(23,24)21-13-3-5-14(6-4-13)25-16-18-7-12(17)8-19-16/h7-11,13-14,21H,3-6H2,1-2H3
InChIKeyLRLOLKVOWORRBX-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.06
Rot. Bonds6

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 90634577) has the molecular formula C16H22FN5O3S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID90634577
Molecular FormulaC16H22FN5O3S
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H22FN5O3S/c1-11(2)22-9-15(20-10-22)26(23,24)21-13-3-5-14(6-4-13)25-16-18-7-12(17)8-19-16/h7-11,13-14,21H,3-6H2,1-2H3
InChIKeyLRLOLKVOWORRBX-UHFFFAOYSA-N
XLogP2.06
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.06
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-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 90634577) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is LRLOLKVOWORRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O3S/c1-11(2)22-9-15(20-10-22)26(23,24)21-13-3-5-14(6-4-13)25-16-18-7-12(17)8-19-16/h7-11,13-14,21H,3-6H2,1-2H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 383.45 g/mol, XLogP of 2.06, 6 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-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 90634577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).