4-propyl-N-quinolin-3-ylbenzenesulfonamide

C18H18N2O2S — CID 3860861

IUPAC4-propyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-5-14-8-10-17(11-9-14)23(21,22)20-16-12-15-6-3-4-7-18(15)19-13-16/h3-4,6-13,20H,2,5H2,1H3
InChIKeyOUYHGAMIDVMMIS-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.99
Rot. Bonds5

About 4-propyl-N-quinolin-3-ylbenzenesulfonamide

4-propyl-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 3860861) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-propyl-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-quinolin-3-ylbenzenesulfonamide
PubChem CID3860861
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-propyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-5-14-8-10-17(11-9-14)23(21,22)20-16-12-15-6-3-4-7-18(15)19-13-16/h3-4,6-13,20H,2,5H2,1H3
InChIKeyOUYHGAMIDVMMIS-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-propyl-N-quinolin-3-ylbenzenesulfonamide (CID 3860861) is 4-propyl-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-propyl-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-propyl-N-quinolin-3-ylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-propyl-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is OUYHGAMIDVMMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-5-14-8-10-17(11-9-14)23(21,22)20-16-12-15-6-3-4-7-18(15)19-13-16/h3-4,6-13,20H,2,5H2,1H3.
What are the key properties of 4-propyl-N-quinolin-3-ylbenzenesulfonamide?
4-propyl-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 3860861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).