(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide

C16H16BrNO2S — CID 30328284

IUPAC(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H16BrNO2S/c1-18(13-15-9-5-6-10-16(15)17)21(19,20)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b12-11+
InChIKeyRGARRDZFFIFFRQ-VAWYXSNFSA-N
MW366.28 g/mol
LogP3.88
Rot. Bonds5

About (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide

(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide (PubChem CID 30328284) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
PubChem CID30328284
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H16BrNO2S/c1-18(13-15-9-5-6-10-16(15)17)21(19,20)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b12-11+
InChIKeyRGARRDZFFIFFRQ-VAWYXSNFSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 4885028
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
N-methyl-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 9428614
1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene
CID 115969609
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 77109067
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61419915
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958497
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958472
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide
CID 8007010

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide (CID 30328284) is (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide is CN(Cc1ccccc1Br)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The InChIKey is RGARRDZFFIFFRQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-18(13-15-9-5-6-10-16(15)17)21(19,20)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b12-11+.
What are the key properties of (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide has a molecular weight of 366.28 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 30328284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).