(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide

C13H9BrClNO2S — CID 58360990

IUPAC(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
InChIKeyVKGSKNVPHWDYLY-CXUHLZMHSA-N
MW358.64 g/mol
LogP3.91
Rot. Bonds3

About (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide

(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide (PubChem CID 58360990) has the molecular formula C13H9BrClNO2S and a molecular weight of 358.64 g/mol. Its IUPAC name is (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
PubChem CID58360990
Molecular FormulaC13H9BrClNO2S
Molecular Weight358.64 g/mol
Exact Mass356.92
IUPAC Name(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
InChIKeyVKGSKNVPHWDYLY-CXUHLZMHSA-N
XLogP3.91
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methylidene]-4-nitrobenzenesulfonamide
CID 73088667
4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 59234789
(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide
CID 135084270
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
(NE)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-chlorobenzenesulfonamide
CID 135688610
(NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide
CID 11687772
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
1-bromo-4-chlorobenzene
CID 7806
N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 42228239
(E)-(4-bromophenyl)methylidenehydrazine
CID 5325577

Frequently Asked Questions

What is the IUPAC name of (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide (CID 58360990) is (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide is O=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
The InChIKey is VKGSKNVPHWDYLY-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9BrClNO2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-9H/b16-9+.
What are the key properties of (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide?
(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide has a molecular weight of 358.64 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 58360990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).