N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C15H24N2O2S — CID 46848494

IUPACN-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-11-17-20(18,19)14-8-9-15-13(12-14)7-6-10-16-15/h8-9,12,16-17H,2-7,10-11H2,1H3
InChIKeyMHLDNLVXTXZPGD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.90
Rot. Bonds7

About N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 46848494) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID46848494
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-11-17-20(18,19)14-8-9-15-13(12-14)7-6-10-16-15/h8-9,12,16-17H,2-7,10-11H2,1H3
InChIKeyMHLDNLVXTXZPGD-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
6-(Pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline
CID 7064100
1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
5-(Morpholin-4-ylsulfonyl)indoline
CID 6486016
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
5-(Pyrrolidin-1-ylsulfonyl)indoline
CID 7064088
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
3-Methyl-6-(Pyrrolidin-1-Ylsulfonyl)-3,4-Dihydroquinazolin-2(1h)-One
CID 66553125

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 46848494) is N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CCCCCCNS(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is MHLDNLVXTXZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-4-5-11-17-20(18,19)14-8-9-15-13(12-14)7-6-10-16-15/h8-9,12,16-17H,2-7,10-11H2,1H3.
What are the key properties of N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 46848494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).