N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H22F3N3O4S — CID 90635040

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(C)nc(OC2CCC(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C19H22F3N3O4S/c1-12-11-13(2)24-18(23-12)28-15-5-3-14(4-6-15)25-30(26,27)17-9-7-16(8-10-17)29-19(20,21)22/h7-11,14-15,25H,3-6H2,1-2H3
InChIKeyDBDHHHLLOCCXFN-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 90635040) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID90635040
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(C)nc(OC2CCC(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C19H22F3N3O4S/c1-12-11-13(2)24-18(23-12)28-15-5-3-14(4-6-15)25-30(26,27)17-9-7-16(8-10-17)29-19(20,21)22/h7-11,14-15,25H,3-6H2,1-2H3
InChIKeyDBDHHHLLOCCXFN-UHFFFAOYSA-N
XLogP3.66
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 90635010
4,6-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258159
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide
CID 90635018
N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 45278732
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
CID 90635022
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 141223964
1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90635069
4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide
CID 164862538
4-(trifluoromethoxy)-N-(3,4,4-trimethylcyclohexyl)benzenesulfonamide
CID 164862828
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67491134
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 90635040) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(C)nc(OC2CCC(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DBDHHHLLOCCXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-12-11-13(2)24-18(23-12)28-15-5-3-14(4-6-15)25-30(26,27)17-9-7-16(8-10-17)29-19(20,21)22/h7-11,14-15,25H,3-6H2,1-2H3.
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 445.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 90635040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).