4-cyclohexyl-N-diazobenzenesulfonamide

C12H15N3O2S — CID 43286634

IUPAC4-cyclohexyl-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2S/c13-14-15-18(16,17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyTXIYDYHNMGTGOF-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.73
Rot. Bonds3

About 4-cyclohexyl-N-diazobenzenesulfonamide

4-cyclohexyl-N-diazobenzenesulfonamide (PubChem CID 43286634) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-cyclohexyl-N-diazobenzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-diazobenzenesulfonamide
PubChem CID43286634
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-cyclohexyl-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2S/c13-14-15-18(16,17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyTXIYDYHNMGTGOF-UHFFFAOYSA-N
XLogP3.73
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 67861960
CID 67861960
N-diazo-4-methylsulfonylbenzenesulfonamide
CID 43286601
N-diazo-4-methylbenzenesulfonamide
CID 13661
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
sodium 4-azidosulfonylbenzoate
CID 24767650
4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2932492
1-(4-cyclohexylphenyl)sulfonylazetidin-3-amine
CID 65244291
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 35539697
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-diazobenzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-diazobenzenesulfonamide (CID 43286634) is 4-cyclohexyl-N-diazobenzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-diazobenzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-diazobenzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-diazobenzenesulfonamide?
The InChIKey is TXIYDYHNMGTGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-14-15-18(16,17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2.
What are the key properties of 4-cyclohexyl-N-diazobenzenesulfonamide?
4-cyclohexyl-N-diazobenzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-diazobenzenesulfonamide is sourced from PubChem (CID 43286634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).