N-(2-adamantyl)-4-aminobenzenesulfonamide

C16H22N2O2S — CID 11771200

IUPACN-(2-adamantyl)-4-aminobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H22N2O2S/c17-14-1-3-15(4-2-14)21(19,20)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9,17H2
InChIKeyKWICNXBBVKQTHN-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.37
Rot. Bonds3

About N-(2-adamantyl)-4-aminobenzenesulfonamide

N-(2-adamantyl)-4-aminobenzenesulfonamide (PubChem CID 11771200) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(2-adamantyl)-4-aminobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-aminobenzenesulfonamide
PubChem CID11771200
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(2-adamantyl)-4-aminobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H22N2O2S/c17-14-1-3-15(4-2-14)21(19,20)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9,17H2
InChIKeyKWICNXBBVKQTHN-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-adamantyl)-4-aminobenzenesulfonamide 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-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
N-(2-adamantyl)-5-chloronaphthalene-2-sulfonamide
CID 54290764
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-(2-adamantyl)-2-fluorobenzenesulfonamide
CID 60652258
N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide
CID 22204431
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
CID 17022471
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
N-(2-adamantyl)cyclopropanesulfonamide
CID 134204266
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 104600117
N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide
CID 112823935

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-aminobenzenesulfonamide?
The IUPAC name of N-(2-adamantyl)-4-aminobenzenesulfonamide (CID 11771200) is N-(2-adamantyl)-4-aminobenzenesulfonamide.
What is the SMILES notation for N-(2-adamantyl)-4-aminobenzenesulfonamide?
The canonical SMILES for N-(2-adamantyl)-4-aminobenzenesulfonamide is Nc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(2-adamantyl)-4-aminobenzenesulfonamide?
The InChIKey is KWICNXBBVKQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c17-14-1-3-15(4-2-14)21(19,20)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9,17H2.
What are the key properties of N-(2-adamantyl)-4-aminobenzenesulfonamide?
N-(2-adamantyl)-4-aminobenzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-aminobenzenesulfonamide is sourced from PubChem (CID 11771200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).