4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide

C14H12BrClN2O2S — CID 3580337

IUPAC4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H12BrClN2O2S/c1-10(13-4-2-3-5-14(13)16)17-18-21(19,20)12-8-6-11(15)7-9-12/h2-9,18H,1H3
InChIKeyCXUOYTVEQLAWIR-UHFFFAOYSA-N
MW387.69 g/mol
LogP3.81
Rot. Bonds4

About 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide

4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide (PubChem CID 3580337) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
PubChem CID3580337
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC Name4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H12BrClN2O2S/c1-10(13-4-2-3-5-14(13)16)17-18-21(19,20)12-8-6-11(15)7-9-12/h2-9,18H,1H3
InChIKeyCXUOYTVEQLAWIR-UHFFFAOYSA-N
XLogP3.81
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.69
LogP ≤ 53.81
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-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679456
4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide
CID 9120973
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
4-bromo-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]benzenesulfonamide
CID 9120988
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline
CID 131740065
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide
CID 6153990
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide (CID 3580337) is 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide is CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is CXUOYTVEQLAWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c1-10(13-4-2-3-5-14(13)16)17-18-21(19,20)12-8-6-11(15)7-9-12/h2-9,18H,1H3.
What are the key properties of 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide?
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 387.69 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 3580337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).