2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

C18H24N4O3S — CID 122353004

IUPAC2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C18H24N4O3S/c1-14-12-15(21-18(20-14)22-10-6-3-7-11-22)13-19-26(23,24)17-9-5-4-8-16(17)25-2/h4-5,8-9,12,19H,3,6-7,10-11,13H2,1-2H3
InChIKeyBPOJZGVYNCGWHG-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122353004) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122353004
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C18H24N4O3S/c1-14-12-15(21-18(20-14)22-10-6-3-7-11-22)13-19-26(23,24)17-9-5-4-8-16(17)25-2/h4-5,8-9,12,19H,3,6-7,10-11,13H2,1-2H3
InChIKeyBPOJZGVYNCGWHG-UHFFFAOYSA-N
XLogP2.26
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide
CID 122352966
2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352328
2,4-diethoxy-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352611
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
2,4-dichloro-5-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352947
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352741
2-methoxy-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 122295080
3-chloro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352331
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352951
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352999
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122353004) is 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1cc(C)nc(N2CCCCC2)n1.
What is the InChIKey of 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is BPOJZGVYNCGWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14-12-15(21-18(20-14)22-10-6-3-7-11-22)13-19-26(23,24)17-9-5-4-8-16(17)25-2/h4-5,8-9,12,19H,3,6-7,10-11,13H2,1-2H3.
What are the key properties of 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122353004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).