N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide

C13H21N3O5S — CID 119993030

IUPACN-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C13H21N3O5S/c1-3-4-5-10(9-14)15-22(19,20)11-6-7-12(16(17)18)13(8-11)21-2/h6-8,10,15H,3-5,9,14H2,1-2H3
InChIKeyGYBFUJNIVLMNHI-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.40
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide

N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide (PubChem CID 119993030) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
PubChem CID119993030
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC NameN-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C13H21N3O5S/c1-3-4-5-10(9-14)15-22(19,20)11-6-7-12(16(17)18)13(8-11)21-2/h6-8,10,15H,3-5,9,14H2,1-2H3
InChIKeyGYBFUJNIVLMNHI-UHFFFAOYSA-N
XLogP1.40
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.40
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'}

Analyze N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119992978
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminopentan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 65193073
ethyl 5-(1-aminohexan-2-ylsulfamoyl)-2-methyl-3-nitrobenzoate
CID 119993010
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119983590
N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
CID 80696978
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminohexan-2-yl)-2,4-dimethyl-5-nitrobenzenesulfonamide
CID 120712495
N-(1-aminohexan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 80696789

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide (CID 119993030) is N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide?
The InChIKey is GYBFUJNIVLMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-3-4-5-10(9-14)15-22(19,20)11-6-7-12(16(17)18)13(8-11)21-2/h6-8,10,15H,3-5,9,14H2,1-2H3.
What are the key properties of N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide?
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide has a molecular weight of 331.39 g/mol, XLogP of 1.40, 9 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)-3-methoxy-4-nitrobenzenesulfonamide is sourced from PubChem (CID 119993030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).