N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide

C18H24N4O3S — CID 5303878

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-12-18(20-14(2)19-13)22-10-8-15(9-11-22)21-26(23,24)17-6-4-16(25-3)5-7-17/h4-7,12,15,21H,8-11H2,1-3H3
InChIKeyASUQFCIBWOAWBU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.05
Rot. Bonds5

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide (PubChem CID 5303878) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
PubChem CID5303878
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-12-18(20-14(2)19-13)22-10-8-15(9-11-22)21-26(23,24)17-6-4-16(25-3)5-7-17/h4-7,12,15,21H,8-11H2,1-3H3
InChIKeyASUQFCIBWOAWBU-UHFFFAOYSA-N
XLogP2.05
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 163326768
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
1-(2,6-dimethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133336149
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 133336161
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
CID 167966554

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide (CID 5303878) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cc1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The InChIKey is ASUQFCIBWOAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-12-18(20-14(2)19-13)22-10-8-15(9-11-22)21-26(23,24)17-6-4-16(25-3)5-7-17/h4-7,12,15,21H,8-11H2,1-3H3.
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 5303878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).