(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide

C8H8BrNO2S — CID 135084270

IUPAC(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide
SMILESCS(=O)(=O)/N=C/c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+
InChIKeyNZGXGACUPLMONM-UXBLZVDNSA-N
MW262.13 g/mol
LogP1.83
Rot. Bonds2

About (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide

(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide (PubChem CID 135084270) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide
PubChem CID135084270
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC Name(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide
SMILESCS(=O)(=O)/N=C/c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+
InChIKeyNZGXGACUPLMONM-UXBLZVDNSA-N
XLogP1.83
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.83
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

4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 59234789
(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
CID 58360990
(E)-(4-bromophenyl)methylidenehydrazine
CID 5325577
1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene
CID 10617583
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126146513
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane
CID 90045392
2-(4-bromophenyl)-N,N-dimethylethenesulfonamide
CID 171130245
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 92684863
N-[(4-bromophenyl)methylideneamino]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 3900698

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide?
The IUPAC name of (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide (CID 135084270) is (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide.
What is the SMILES notation for (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide?
The canonical SMILES for (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide is CS(=O)(=O)/N=C/c1ccc(Br)cc1.
What is the InChIKey of (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide?
The InChIKey is NZGXGACUPLMONM-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+.
What are the key properties of (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide?
(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide has a molecular weight of 262.13 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide is sourced from PubChem (CID 135084270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).