N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C13H20N2O2S — CID 104773710

IUPACN-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)15-18(16,17)12-8-4-7-11-10(12)6-5-9-14-11/h4,7-8,14-15H,5-6,9H2,1-3H3
InChIKeyZFNRUKLTDZMLMR-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.12
Rot. Bonds2

About N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773710) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773710
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)15-18(16,17)12-8-4-7-11-10(12)6-5-9-14-11/h4,7-8,14-15H,5-6,9H2,1-3H3
InChIKeyZFNRUKLTDZMLMR-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773710) is N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CC(C)(C)NS(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is ZFNRUKLTDZMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)15-18(16,17)12-8-4-7-11-10(12)6-5-9-14-11/h4,7-8,14-15H,5-6,9H2,1-3H3.
What are the key properties of N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).