N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide

C16H26N2O3S — CID 20604027

IUPACN-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide
SMILESCC(C)(C)C(=O)c1ccc(S(=O)(=O)NCCCCCN)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)15(19)13-7-9-14(10-8-13)22(20,21)18-12-6-4-5-11-17/h7-10,18H,4-6,11-12,17H2,1-3H3
InChIKeyMEDOLFWKZXGLNX-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.32
Rot. Bonds8

About N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide

N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide (PubChem CID 20604027) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide
PubChem CID20604027
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide
SMILESCC(C)(C)C(=O)c1ccc(S(=O)(=O)NCCCCCN)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)15(19)13-7-9-14(10-8-13)22(20,21)18-12-6-4-5-11-17/h7-10,18H,4-6,11-12,17H2,1-3H3
InChIKeyMEDOLFWKZXGLNX-UHFFFAOYSA-N
XLogP2.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide 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

4-(5-aminopentylsulfamoyl)-N-[[4-(2,2-dimethylpropanoyl)piperazin-1-yl]methyl]benzamide
CID 20604018
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
tert-butyl N-(4-aminobutyl)-N-[4-[4-[(4-methylphenyl)sulfonylamino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
CID 59235831
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide?
The IUPAC name of N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide (CID 20604027) is N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide?
The canonical SMILES for N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide is CC(C)(C)C(=O)c1ccc(S(=O)(=O)NCCCCCN)cc1.
What is the InChIKey of N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide?
The InChIKey is MEDOLFWKZXGLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-16(2,3)15(19)13-7-9-14(10-8-13)22(20,21)18-12-6-4-5-11-17/h7-10,18H,4-6,11-12,17H2,1-3H3.
What are the key properties of N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide?
N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 20604027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).