N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide

C20H27N3O3S — CID 90635018

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)c1
InChIInChI=1S/C20H27N3O3S/c1-13-5-6-14(2)19(11-13)27(24,25)23-17-7-9-18(10-8-17)26-20-21-15(3)12-16(4)22-20/h5-6,11-12,17-18,23H,7-10H2,1-4H3
InChIKeyBVMRBKZXBQSWTB-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.38
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 90635018) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide
PubChem CID90635018
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)c1
InChIInChI=1S/C20H27N3O3S/c1-13-5-6-14(2)19(11-13)27(24,25)23-17-7-9-18(10-8-17)26-20-21-15(3)12-16(4)22-20/h5-6,11-12,17-18,23H,7-10H2,1-4H3
InChIKeyBVMRBKZXBQSWTB-UHFFFAOYSA-N
XLogP3.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 90635010
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
CID 90635022
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90635069
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113038129
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 46380415
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide (CID 90635018) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)c1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is BVMRBKZXBQSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-5-6-14(2)19(11-13)27(24,25)23-17-7-9-18(10-8-17)26-20-21-15(3)12-16(4)22-20/h5-6,11-12,17-18,23H,7-10H2,1-4H3.
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 90635018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).