4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide

C15H15BrN2O2S — CID 7923211

IUPAC4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide
SMILESC[C@H](/C=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrN2O2S/c1-12(13-5-3-2-4-6-13)11-17-18-21(19,20)15-9-7-14(16)8-10-15/h2-12,18H,1H3/b17-11-/t12-/m1/s1
InChIKeyHNEMVMWXBXHXNM-ZSAINHDTSA-N
MW367.27 g/mol
LogP3.52
Rot. Bonds5

About 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide

4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide (PubChem CID 7923211) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide
PubChem CID7923211
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide
SMILESC[C@H](/C=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrN2O2S/c1-12(13-5-3-2-4-6-13)11-17-18-21(19,20)15-9-7-14(16)8-10-15/h2-12,18H,1H3/b17-11-/t12-/m1/s1
InChIKeyHNEMVMWXBXHXNM-ZSAINHDTSA-N
XLogP3.52
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide (CID 7923211) is 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide is C[C@H](/C=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide?
The InChIKey is HNEMVMWXBXHXNM-ZSAINHDTSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-12(13-5-3-2-4-6-13)11-17-18-21(19,20)15-9-7-14(16)8-10-15/h2-12,18H,1H3/b17-11-/t12-/m1/s1.
What are the key properties of 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide?
4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide has a molecular weight of 367.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide is sourced from PubChem (CID 7923211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).