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

C14H18FN5O3S — CID 91626446

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C14H18FN5O3S/c1-20-8-13(18-9-20)24(21,22)19-11-2-4-12(5-3-11)23-14-16-6-10(15)7-17-14/h6-9,11-12,19H,2-5H2,1H3
InChIKeyDCDKBFZIJJHGPL-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.02
Rot. Bonds5

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide (PubChem CID 91626446) has the molecular formula C14H18FN5O3S and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide
PubChem CID91626446
Molecular FormulaC14H18FN5O3S
Molecular Weight355.40 g/mol
Exact Mass355.11
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C14H18FN5O3S/c1-20-8-13(18-9-20)24(21,22)19-11-2-4-12(5-3-11)23-14-16-6-10(15)7-17-14/h6-9,11-12,19H,2-5H2,1H3
InChIKeyDCDKBFZIJJHGPL-UHFFFAOYSA-N
XLogP1.02
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.02
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-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide (CID 91626446) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is DCDKBFZIJJHGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O3S/c1-20-8-13(18-9-20)24(21,22)19-11-2-4-12(5-3-11)23-14-16-6-10(15)7-17-14/h6-9,11-12,19H,2-5H2,1H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 355.40 g/mol, XLogP of 1.02, 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-methylimidazole-4-sulfonamide is sourced from PubChem (CID 91626446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).