N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide

C17H22N2O2S — CID 2810608

IUPACN-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-4-5-6-15-7-9-16(10-8-15)22(20,21)19-17-13-14(2)11-12-18-17/h7-13H,3-6H2,1-2H3,(H,18,19)
InChIKeyOVJWGQJFPZZYSG-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.92
Rot. Bonds7

About N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide

N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide (PubChem CID 2810608) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide
PubChem CID2810608
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-4-5-6-15-7-9-16(10-8-15)22(20,21)19-17-13-14(2)11-12-18-17/h7-13H,3-6H2,1-2H3,(H,18,19)
InChIKeyOVJWGQJFPZZYSG-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide (CID 2810608) is N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide?
The InChIKey is OVJWGQJFPZZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-4-5-6-15-7-9-16(10-8-15)22(20,21)19-17-13-14(2)11-12-18-17/h7-13H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide?
N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide is sourced from PubChem (CID 2810608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).