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

C15H18N2O2S — CID 110757506

IUPACN-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccnc(C)c2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-14-9-10-16-12(2)11-14/h5-11H,3-4H2,1-2H3,(H,16,17)
InChIKeySIFXDZXFBZBQOO-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.14
Rot. Bonds5

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

N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide (PubChem CID 110757506) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
PubChem CID110757506
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccnc(C)c2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-14-9-10-16-12(2)11-14/h5-11H,3-4H2,1-2H3,(H,16,17)
InChIKeySIFXDZXFBZBQOO-UHFFFAOYSA-N
XLogP3.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxyethyl)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240556
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071272
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
CID 59018198
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
2-hydrazinyl-N-(2-methyl-4-pyridinyl)pyrimidine-5-sulfonamide
CID 79241040
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide (CID 110757506) is N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccnc(C)c2)cc1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide?
The InChIKey is SIFXDZXFBZBQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-14-9-10-16-12(2)11-14/h5-11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide?
N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 110757506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).