4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide

C19H26N4O3S — CID 122299666

IUPAC4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)nc2)cc1C
InChIInChI=1S/C19H26N4O3S/c1-13-5-7-23(8-6-13)19-20-11-16(12-21-19)22-27(24,25)18-10-14(2)17(26-4)9-15(18)3/h9-13,22H,5-8H2,1-4H3
InChIKeyJKMVHFHJQSZHNB-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.14
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 122299666) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID122299666
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)nc2)cc1C
InChIInChI=1S/C19H26N4O3S/c1-13-5-7-23(8-6-13)19-20-11-16(12-21-19)22-27(24,25)18-10-14(2)17(26-4)9-15(18)3/h9-13,22H,5-8H2,1-4H3
InChIKeyJKMVHFHJQSZHNB-UHFFFAOYSA-N
XLogP3.14
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 27475907
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024598
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
CID 122299683
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
CID 122299894
3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
CID 122299890
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
CID 122299656
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide (CID 122299666) is 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)nc2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is JKMVHFHJQSZHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-5-7-23(8-6-13)19-20-11-16(12-21-19)22-27(24,25)18-10-14(2)17(26-4)9-15(18)3/h9-13,22H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 122299666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).