N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H24FN3O3S — CID 90634541

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H24FN3O3S/c21-16-12-22-20(23-13-16)27-18-8-6-17(7-9-18)24-28(25,26)19-10-5-14-3-1-2-4-15(14)11-19/h5,10-13,17-18,24H,1-4,6-9H2
InChIKeyVUCHDBGYTPABCA-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.16
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 90634541) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID90634541
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H24FN3O3S/c21-16-12-22-20(23-13-16)27-18-8-6-17(7-9-18)24-28(25,26)19-10-5-14-3-1-2-4-15(14)11-19/h5,10-13,17-18,24H,1-4,6-9H2
InChIKeyVUCHDBGYTPABCA-UHFFFAOYSA-N
XLogP3.16
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 90634538
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026
3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
CID 90634528
1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90634554
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918
N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 47958232
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120723735
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 90634541) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is VUCHDBGYTPABCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c21-16-12-22-20(23-13-16)27-18-8-6-17(7-9-18)24-28(25,26)19-10-5-14-3-1-2-4-15(14)11-19/h5,10-13,17-18,24H,1-4,6-9H2.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.16, 5 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]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 90634541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).