2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide

C19H25N3O4S — CID 113010195

IUPAC2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C19H25N3O4S/c1-14-8-10-22(11-9-14)19-7-4-15(13-20-19)21-27(23,24)18-12-16(25-2)5-6-17(18)26-3/h4-7,12-14,21H,8-11H2,1-3H3
InChIKeyOXLVZXCAPHTMIO-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.14
Rot. Bonds6

About 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide

2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 113010195) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID113010195
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C19H25N3O4S/c1-14-8-10-22(11-9-14)19-7-4-15(13-20-19)21-27(23,24)18-12-16(25-2)5-6-17(18)26-3/h4-7,12-14,21H,8-11H2,1-3H3
InChIKeyOXLVZXCAPHTMIO-UHFFFAOYSA-N
XLogP3.14
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113015691
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
5-[(2,5-dimethoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50766586
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010183
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide (CID 113010195) is 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)nc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is OXLVZXCAPHTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-8-10-22(11-9-14)19-7-4-15(13-20-19)21-27(23,24)18-12-16(25-2)5-6-17(18)26-3/h4-7,12-14,21H,8-11H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113010195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).