N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide

C15H18N2O2S — CID 66714284

IUPACN-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cnccc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-10-20(18,19)17-14-6-4-13(5-7-14)15-11-16-9-8-12(15)2/h4-9,11,17H,3,10H2,1-2H3
InChIKeyBGFQRQZTMUCCBA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.21
Rot. Bonds5

About N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide

N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide (PubChem CID 66714284) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
PubChem CID66714284
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cnccc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-10-20(18,19)17-14-6-4-13(5-7-14)15-11-16-9-8-12(15)2/h4-9,11,17H,3,10H2,1-2H3
InChIKeyBGFQRQZTMUCCBA-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide (CID 66714284) is N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2cnccc2C)cc1.
What is the InChIKey of N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide?
The InChIKey is BGFQRQZTMUCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-10-20(18,19)17-14-6-4-13(5-7-14)15-11-16-9-8-12(15)2/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide?
N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 66714284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).