N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide

C14H12BrNO2S — CID 5010528

IUPACN-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3
InChIKeyPQUIUBJMRRZMDV-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.57
Rot. Bonds3

About N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide

N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 5010528) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID5010528
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC NameN-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3
InChIKeyPQUIUBJMRRZMDV-UHFFFAOYSA-N
XLogP3.57
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide (CID 5010528) is N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is PQUIUBJMRRZMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3.
What are the key properties of N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide?
N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 338.23 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5010528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).