4-amino-N-(cyclooctatetraenyl)benzenesulfonamide

C14H14N2O2S — CID 143002799

IUPAC4-amino-N-(cyclooctatetraenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2=C/C=C\C=C/C=C\2)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-8-10-14(11-9-12)19(17,18)16-13-6-4-2-1-3-5-7-13/h1-11,16H,15H2/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,13-6+,13-7+
InChIKeySPRKWVPRVDLHEX-VMAXLNEWSA-N
MW274.35 g/mol
LogP2.11
Rot. Bonds3

About 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide

4-amino-N-(cyclooctatetraenyl)benzenesulfonamide (PubChem CID 143002799) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(cyclooctatetraenyl)benzenesulfonamide
PubChem CID143002799
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-amino-N-(cyclooctatetraenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2=C/C=C\C=C/C=C\2)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-8-10-14(11-9-12)19(17,18)16-13-6-4-2-1-3-5-7-13/h1-11,16H,15H2/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,13-6+,13-7+
InChIKeySPRKWVPRVDLHEX-VMAXLNEWSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
CID 12626415
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide
CID 101033192
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-[(4-aminophenyl)sulfonimidoyl]aniline
CID 71513819
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
4-amino-N-(1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 45117546

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide (CID 143002799) is 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2=C/C=C\C=C/C=C\2)cc1.
What is the InChIKey of 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide?
The InChIKey is SPRKWVPRVDLHEX-VMAXLNEWSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-12-8-10-14(11-9-12)19(17,18)16-13-6-4-2-1-3-5-7-13/h1-11,16H,15H2/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,13-6+,13-7+.
What are the key properties of 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide?
4-amino-N-(cyclooctatetraenyl)benzenesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclooctatetraenyl)benzenesulfonamide is sourced from PubChem (CID 143002799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).