N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide

C14H13BrN2O2S — CID 5000888

IUPACN-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3
InChIKeyBLOITXFYRUHMIU-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide

N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide (PubChem CID 5000888) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
PubChem CID5000888
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3
InChIKeyBLOITXFYRUHMIU-UHFFFAOYSA-N
XLogP3.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.15
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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Related Compounds

N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]benzenesulfonamide
CID 3885165
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-bromo-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]benzenesulfonamide
CID 6052627
4-bromo-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]benzenesulfonamide
CID 9120988
N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3410410
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
CID 3925592
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide (CID 5000888) is N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide is CC(=NNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is BLOITXFYRUHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide?
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 353.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5000888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).