N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H17ClF3N3O4S — CID 90634047

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3N3O4S/c18-11-9-22-16(23-10-11)27-13-3-1-12(2-4-13)24-29(25,26)15-7-5-14(6-8-15)28-17(19,20)21/h5-10,12-13,24H,1-4H2
InChIKeyJFZZWMJHXSGMRJ-UHFFFAOYSA-N
MW451.85 g/mol
LogP3.70
Rot. Bonds6

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 90634047) has the molecular formula C17H17ClF3N3O4S and a molecular weight of 451.85 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID90634047
Molecular FormulaC17H17ClF3N3O4S
Molecular Weight451.85 g/mol
Exact Mass451.06
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3N3O4S/c18-11-9-22-16(23-10-11)27-13-3-1-12(2-4-13)24-29(25,26)15-7-5-14(6-8-15)28-17(19,20)21/h5-10,12-13,24H,1-4H2
InChIKeyJFZZWMJHXSGMRJ-UHFFFAOYSA-N
XLogP3.70
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.85
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67491134
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90634541
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
4-(trifluoromethoxy)-N-(3,4,4-trimethylcyclohexyl)benzenesulfonamide
CID 164862828
4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide
CID 164862538
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 90634538

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 90634047) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JFZZWMJHXSGMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O4S/c18-11-9-22-16(23-10-11)27-13-3-1-12(2-4-13)24-29(25,26)15-7-5-14(6-8-15)28-17(19,20)21/h5-10,12-13,24H,1-4H2.
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 451.85 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 90634047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).