potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide

C19H26KN4O3S+ — CID 126468671

IUPACpotassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide
SMILESCN(C)/N=N/c1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.[K+]
InChIInChI=1S/C19H26N4O3S.K/c1-23(2)22-20-16-3-5-17(6-4-16)27(25,26)21-18(24)19-10-13-7-14(11-19)9-15(8-13)12-19;/h3-6,13-15H,7-12H2,1-2H3,(H,21,24);/q;+1/b22-20+;
InChIKeyDRYAEPQZYXAHOJ-QPNALZDCSA-N
MW429.61 g/mol
LogP0.27
Rot. Bonds5

About potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide

potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide (PubChem CID 126468671) has the molecular formula C19H26KN4O3S+ and a molecular weight of 429.61 g/mol. Its IUPAC name is potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide.

Molecular Properties

Compound Namepotassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide
PubChem CID126468671
Molecular FormulaC19H26KN4O3S+
Molecular Weight429.61 g/mol
Exact Mass429.14
IUPAC Namepotassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide
SMILESCN(C)/N=N/c1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.[K+]
InChIInChI=1S/C19H26N4O3S.K/c1-23(2)22-20-16-3-5-17(6-4-16)27(25,26)21-18(24)19-10-13-7-14(11-19)9-15(8-13)12-19;/h3-6,13-15H,7-12H2,1-2H3,(H,21,24);/q;+1/b22-20+;
InChIKeyDRYAEPQZYXAHOJ-QPNALZDCSA-N
XLogP0.27
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)sulfonyladamantane-1-carboxamide
CID 159904270
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47731570
N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
CID 4880033
N-[1-(1-adamantyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 561246
ethyl 4-[(adamantane-1-carbonylamino)sulfamoyl]benzoate
CID 4248662
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18159466
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 2933308
N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 26313790
4-(1-adamantylsulfamoyl)benzoate
CID 7119512
4-acetyl-N-(1-adamantyl)benzenesulfonamide
CID 7937979
1-(1-adamantyl)-2-(3,4-dimethylphenyl)sulfonylethanone
CID 136535958

Frequently Asked Questions

What is the IUPAC name of potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide?
The IUPAC name of potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide (CID 126468671) is potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide.
What is the SMILES notation for potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide?
The canonical SMILES for potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide is CN(C)/N=N/c1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.[K+].
What is the InChIKey of potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide?
The InChIKey is DRYAEPQZYXAHOJ-QPNALZDCSA-N. The full InChI is InChI=1S/C19H26N4O3S.K/c1-23(2)22-20-16-3-5-17(6-4-16)27(25,26)21-18(24)19-10-13-7-14(11-19)9-15(8-13)12-19;/h3-6,13-15H,7-12H2,1-2H3,(H,21,24);/q;+1/b22-20+;.
What are the key properties of potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide?
potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide is sourced from PubChem (CID 126468671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).