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

C14H22FN3O3S — CID 90634507

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H22FN3O3S/c1-2-3-8-22(19,20)18-12-4-6-13(7-5-12)21-14-16-9-11(15)10-17-14/h9-10,12-13,18H,2-8H2,1H3
InChIKeyAYHMURQWNCANQZ-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.03
Rot. Bonds7

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide (PubChem CID 90634507) has the molecular formula C14H22FN3O3S and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
PubChem CID90634507
Molecular FormulaC14H22FN3O3S
Molecular Weight331.41 g/mol
Exact Mass331.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H22FN3O3S/c1-2-3-8-22(19,20)18-12-4-6-13(7-5-12)21-14-16-9-11(15)10-17-14/h9-10,12-13,18H,2-8H2,1H3
InChIKeyAYHMURQWNCANQZ-UHFFFAOYSA-N
XLogP2.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide (CID 90634507) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
The InChIKey is AYHMURQWNCANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O3S/c1-2-3-8-22(19,20)18-12-4-6-13(7-5-12)21-14-16-9-11(15)10-17-14/h9-10,12-13,18H,2-8H2,1H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide has a molecular weight of 331.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide is sourced from PubChem (CID 90634507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).