N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide

C19H22N4O3S — CID 163197032

IUPACN-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H22N4O3S/c1-2-3-4-7-14-20-27(25,26)16-12-10-15(11-13-16)23-19(24)17-8-5-6-9-18(17)21-22-23/h5-6,8-13,20H,2-4,7,14H2,1H3
InChIKeyJOGDZWMXUMIZPH-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.64
Rot. Bonds8

About N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide

N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide (PubChem CID 163197032) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide
PubChem CID163197032
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H22N4O3S/c1-2-3-4-7-14-20-27(25,26)16-12-10-15(11-13-16)23-19(24)17-8-5-6-9-18(17)21-22-23/h5-6,8-13,20H,2-4,7,14H2,1H3
InChIKeyJOGDZWMXUMIZPH-UHFFFAOYSA-N
XLogP2.64
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
The IUPAC name of N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide (CID 163197032) is N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide is CCCCCCNS(=O)(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
The InChIKey is JOGDZWMXUMIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-3-4-7-14-20-27(25,26)16-12-10-15(11-13-16)23-19(24)17-8-5-6-9-18(17)21-22-23/h5-6,8-13,20H,2-4,7,14H2,1H3.
What are the key properties of N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 163197032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).