2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide

C18H23N3O4S — CID 113010011

IUPAC2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)nc2)c(OC)c1
InChIInChI=1S/C18H23N3O4S/c1-24-15-7-8-17(16(12-15)25-2)26(22,23)20-14-6-9-18(19-13-14)21-10-4-3-5-11-21/h6-9,12-13,20H,3-5,10-11H2,1-2H3
InChIKeyHRPXRQVOIXCWIK-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.89
Rot. Bonds6

About 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide

2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 113010011) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID113010011
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)nc2)c(OC)c1
InChIInChI=1S/C18H23N3O4S/c1-24-15-7-8-17(16(12-15)25-2)26(22,23)20-14-6-9-18(19-13-14)21-10-4-3-5-11-21/h6-9,12-13,20H,3-5,10-11H2,1-2H3
InChIKeyHRPXRQVOIXCWIK-UHFFFAOYSA-N
XLogP2.89
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
2,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113015691
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010132
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113011180

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide (CID 113010011) is 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)nc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is HRPXRQVOIXCWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-24-15-7-8-17(16(12-15)25-2)26(22,23)20-14-6-9-18(19-13-14)21-10-4-3-5-11-21/h6-9,12-13,20H,3-5,10-11H2,1-2H3.
What are the key properties of 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 113010011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).