N-[(3-bromophenyl)methylideneamino]methanesulfonamide

C8H9BrN2O2S — CID 867189

IUPACN-[(3-bromophenyl)methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c1-14(12,13)11-10-6-7-3-2-4-8(9)5-7/h2-6,11H,1H3
InChIKeyGLIIWKTXGDPREL-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.33
Rot. Bonds3

About N-[(3-bromophenyl)methylideneamino]methanesulfonamide

N-[(3-bromophenyl)methylideneamino]methanesulfonamide (PubChem CID 867189) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]methanesulfonamide
PubChem CID867189
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC NameN-[(3-bromophenyl)methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c1-14(12,13)11-10-6-7-3-2-4-8(9)5-7/h2-6,11H,1H3
InChIKeyGLIIWKTXGDPREL-UHFFFAOYSA-N
XLogP1.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.33
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,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
[(E)-(3-bromophenyl)methylideneamino]thiourea
CID 7695054
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 124553692
N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline
CID 19655713
3-bromobenzaldehyde;ethane
CID 91121301
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]methanesulfonamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]methanesulfonamide (CID 867189) is N-[(3-bromophenyl)methylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]methanesulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]methanesulfonamide is CS(=O)(=O)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]methanesulfonamide?
The InChIKey is GLIIWKTXGDPREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c1-14(12,13)11-10-6-7-3-2-4-8(9)5-7/h2-6,11H,1H3.
What are the key properties of N-[(3-bromophenyl)methylideneamino]methanesulfonamide?
N-[(3-bromophenyl)methylideneamino]methanesulfonamide has a molecular weight of 277.14 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]methanesulfonamide is sourced from PubChem (CID 867189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).