N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide

C20H27N3O5S — CID 90635010

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)cc1OC
InChIInChI=1S/C20H27N3O5S/c1-13-11-14(2)22-20(21-13)28-16-7-5-15(6-8-16)23-29(24,25)17-9-10-18(26-3)19(12-17)27-4/h9-12,15-16,23H,5-8H2,1-4H3
InChIKeyIIYSQDRTPBGEIX-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.78
Rot. Bonds7

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 90635010) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID90635010
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)cc1OC
InChIInChI=1S/C20H27N3O5S/c1-13-11-14(2)22-20(21-13)28-16-7-5-15(6-8-16)23-29(24,25)17-9-10-18(26-3)19(12-17)27-4/h9-12,15-16,23H,5-8H2,1-4H3
InChIKeyIIYSQDRTPBGEIX-UHFFFAOYSA-N
XLogP2.78
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide
CID 90635018
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
CID 90635022
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90635069
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide (CID 90635010) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)cc1OC.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is IIYSQDRTPBGEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-13-11-14(2)22-20(21-13)28-16-7-5-15(6-8-16)23-29(24,25)17-9-10-18(26-3)19(12-17)27-4/h9-12,15-16,23H,5-8H2,1-4H3.
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 90635010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).