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

C19H25N3O2S — CID 113010183

IUPAC2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C19H25N3O2S/c1-14-8-10-22(11-9-14)19-7-6-17(13-20-19)21-25(23,24)18-12-15(2)4-5-16(18)3/h4-7,12-14,21H,8-11H2,1-3H3
InChIKeyPLMNXDIPRJWMLB-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.74
Rot. Bonds4

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

2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 113010183) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID113010183
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C19H25N3O2S/c1-14-8-10-22(11-9-14)19-7-6-17(13-20-19)21-25(23,24)18-12-15(2)4-5-16(18)3/h4-7,12-14,21H,8-11H2,1-3H3
InChIKeyPLMNXDIPRJWMLB-UHFFFAOYSA-N
XLogP3.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195
N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 56777957
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 46462488
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 74225889
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024598

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide (CID 113010183) is 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)nc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is PLMNXDIPRJWMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-8-10-22(11-9-14)19-7-6-17(13-20-19)21-25(23,24)18-12-15(2)4-5-16(18)3/h4-7,12-14,21H,8-11H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide?
2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113010183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).