N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide

C18H23N3O3S — CID 56653705

IUPACN-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C1CCCCC1
InChIInChI=1S/C18H23N3O3S/c1-24-17-10-14(21-25(2,22)23)8-9-15(17)16-11-19-12-20-18(16)13-6-4-3-5-7-13/h8-13,21H,3-7H2,1-2H3
InChIKeyAFTRXYMELIZPCX-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.57
Rot. Bonds5

About N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide

N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide (PubChem CID 56653705) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide
PubChem CID56653705
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C1CCCCC1
InChIInChI=1S/C18H23N3O3S/c1-24-17-10-14(21-25(2,22)23)8-9-15(17)16-11-19-12-20-18(16)13-6-4-3-5-7-13/h8-13,21H,3-7H2,1-2H3
InChIKeyAFTRXYMELIZPCX-UHFFFAOYSA-N
XLogP3.57
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide (CID 56653705) is N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C1CCCCC1.
What is the InChIKey of N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide?
The InChIKey is AFTRXYMELIZPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-24-17-10-14(21-25(2,22)23)8-9-15(17)16-11-19-12-20-18(16)13-6-4-3-5-7-13/h8-13,21H,3-7H2,1-2H3.
What are the key properties of N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide?
N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylpyrimidin-5-yl)-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 56653705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).