N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide

C15H20N4O4S — CID 120712483

IUPACN-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C15H20N4O4S/c1-2-3-5-11(10-16)18-24(22,23)14-8-7-13(19(20)21)12-6-4-9-17-15(12)14/h4,6-9,11,18H,2-3,5,10,16H2,1H3
InChIKeyMTDBQYGRPOLLMG-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.94
Rot. Bonds8

About N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide

N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide (PubChem CID 120712483) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide
PubChem CID120712483
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C15H20N4O4S/c1-2-3-5-11(10-16)18-24(22,23)14-8-7-13(19(20)21)12-6-4-9-17-15(12)14/h4,6-9,11,18H,2-3,5,10,16H2,1H3
InChIKeyMTDBQYGRPOLLMG-UHFFFAOYSA-N
XLogP1.94
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide
CID 120706703
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120706702
5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide
CID 120715909
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
N-[2-(methylamino)ethyl]-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120708645
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119992978
N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
CID 80696978
N-(1-aminohexan-2-yl)-2,4-dimethyl-5-nitrobenzenesulfonamide
CID 120712495
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119993030
N-(1-aminohexan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 80696789
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
8-(3-chloropropylsulfonyl)-5-nitroquinoline
CID 66126138

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide (CID 120712483) is N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide?
The InChIKey is MTDBQYGRPOLLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-2-3-5-11(10-16)18-24(22,23)14-8-7-13(19(20)21)12-6-4-9-17-15(12)14/h4,6-9,11,18H,2-3,5,10,16H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide?
N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide is sourced from PubChem (CID 120712483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).