N-(3-chlorophenyl)iminobenzenesulfonamide

C12H9ClN2O2S — CID 12884558

IUPACN-(3-chlorophenyl)iminobenzenesulfonamide
SMILESO=S(=O)(/N=N/c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C12H9ClN2O2S/c13-10-5-4-6-11(9-10)14-15-18(16,17)12-7-2-1-3-8-12/h1-9H/b15-14+
InChIKeyRJCHQPOPGNKQOX-CCEZHUSRSA-N
MW280.74 g/mol
LogP3.81
Rot. Bonds3

About N-(3-chlorophenyl)iminobenzenesulfonamide

N-(3-chlorophenyl)iminobenzenesulfonamide (PubChem CID 12884558) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)iminobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)iminobenzenesulfonamide
PubChem CID12884558
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC NameN-(3-chlorophenyl)iminobenzenesulfonamide
SMILESO=S(=O)(/N=N/c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C12H9ClN2O2S/c13-10-5-4-6-11(9-10)14-15-18(16,17)12-7-2-1-3-8-12/h1-9H/b15-14+
InChIKeyRJCHQPOPGNKQOX-CCEZHUSRSA-N
XLogP3.81
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)iminobenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)iminobenzenesulfonamide (CID 12884558) is N-(3-chlorophenyl)iminobenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)iminobenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)iminobenzenesulfonamide is O=S(=O)(/N=N/c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)iminobenzenesulfonamide?
The InChIKey is RJCHQPOPGNKQOX-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-10-5-4-6-11(9-10)14-15-18(16,17)12-7-2-1-3-8-12/h1-9H/b15-14+.
What are the key properties of N-(3-chlorophenyl)iminobenzenesulfonamide?
N-(3-chlorophenyl)iminobenzenesulfonamide has a molecular weight of 280.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)iminobenzenesulfonamide is sourced from PubChem (CID 12884558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).