1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide

C19H23F2N3O3S — CID 90635069

IUPAC1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
SMILESCc1cc(C)nc(OC2CCC(NS(=O)(=O)Cc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C19H23F2N3O3S/c1-12-9-13(2)23-19(22-12)27-17-6-4-16(5-7-17)24-28(25,26)11-14-10-15(20)3-8-18(14)21/h3,8-10,16-17,24H,4-7,11H2,1-2H3
InChIKeyZCPOUECQFXNJCM-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.18
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide (PubChem CID 90635069) has the molecular formula C19H23F2N3O3S and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
PubChem CID90635069
Molecular FormulaC19H23F2N3O3S
Molecular Weight411.47 g/mol
Exact Mass411.14
IUPAC Name1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
SMILESCc1cc(C)nc(OC2CCC(NS(=O)(=O)Cc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C19H23F2N3O3S/c1-12-9-13(2)23-19(22-12)27-17-6-4-16(5-7-17)24-28(25,26)11-14-10-15(20)3-8-18(14)21/h3,8-10,16-17,24H,4-7,11H2,1-2H3
InChIKeyZCPOUECQFXNJCM-UHFFFAOYSA-N
XLogP3.18
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90634554
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
CID 90635022
1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide
CID 75475359
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 90635010
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide
CID 90635018
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 90634538
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
CID 58421492
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634935
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide (CID 90635069) is 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide is Cc1cc(C)nc(OC2CCC(NS(=O)(=O)Cc3cc(F)ccc3F)CC2)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The InChIKey is ZCPOUECQFXNJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3S/c1-12-9-13(2)23-19(22-12)27-17-6-4-16(5-7-17)24-28(25,26)11-14-10-15(20)3-8-18(14)21/h3,8-10,16-17,24H,4-7,11H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide has a molecular weight of 411.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide is sourced from PubChem (CID 90635069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).