(NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide

C14H12BrNOS — CID 135035625

IUPAC(NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNOS/c1-11-2-8-14(9-3-11)18(17)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3/b16-10+
InChIKeyBRNBYBUSFPBCDT-MHWRWJLKSA-N
MW322.23 g/mol
LogP3.90
Rot. Bonds3

About (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide

(NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide (PubChem CID 135035625) has the molecular formula C14H12BrNOS and a molecular weight of 322.23 g/mol. Its IUPAC name is (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name(NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide
PubChem CID135035625
Molecular FormulaC14H12BrNOS
Molecular Weight322.23 g/mol
Exact Mass320.98
IUPAC Name(NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNOS/c1-11-2-8-14(9-3-11)18(17)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3/b16-10+
InChIKeyBRNBYBUSFPBCDT-MHWRWJLKSA-N
XLogP3.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide?
The IUPAC name of (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide (CID 135035625) is (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide.
What is the SMILES notation for (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide?
The canonical SMILES for (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide is Cc1ccc(S(=O)/N=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide?
The InChIKey is BRNBYBUSFPBCDT-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12BrNOS/c1-11-2-8-14(9-3-11)18(17)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3/b16-10+.
What are the key properties of (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide?
(NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide has a molecular weight of 322.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfinamide is sourced from PubChem (CID 135035625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).