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4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H21N3O3S — CID 6493048

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCCC1
InChIInChI=1S/C18H21N3O3S/c1-14-7-8-16(12-17(14)18(22)21-10-4-5-11-21)25(23,24)20-13-15-6-2-3-9-19-15/h2-3,6-9,12,20H,4-5,10-11,13H2,1H3
InChIKeyXJWANNHHDBSPHS-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.10
Rot. Bonds5

About 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 6493048) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID6493048
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCCC1
InChIInChI=1S/C18H21N3O3S/c1-14-7-8-16(12-17(14)18(22)21-10-4-5-11-21)25(23,24)20-13-15-6-2-3-9-19-15/h2-3,6-9,12,20H,4-5,10-11,13H2,1H3
InChIKeyXJWANNHHDBSPHS-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 6493048) is 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCCC1.
What is the InChIKey of 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XJWANNHHDBSPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-7-8-16(12-17(14)18(22)21-10-4-5-11-21)25(23,24)20-13-15-6-2-3-9-19-15/h2-3,6-9,12,20H,4-5,10-11,13H2,1H3.
What are the key properties of 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 6493048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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