1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide

C8H10BrNO4S2 — CID 83084505

IUPAC1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)CBr
InChIInChI=1S/C8H10BrNO4S2/c1-15(11,12)8-5-3-2-4-7(8)10-16(13,14)6-9/h2-5,10H,6H2,1H3
InChIKeyQCVYXUSADQYFCC-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.18
Rot. Bonds4

About 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide

1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide (PubChem CID 83084505) has the molecular formula C8H10BrNO4S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide
PubChem CID83084505
Molecular FormulaC8H10BrNO4S2
Molecular Weight328.21 g/mol
Exact Mass326.92
IUPAC Name1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)CBr
InChIInChI=1S/C8H10BrNO4S2/c1-15(11,12)8-5-3-2-4-7(8)10-16(13,14)6-9/h2-5,10H,6H2,1H3
InChIKeyQCVYXUSADQYFCC-UHFFFAOYSA-N
XLogP1.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
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N-methyl-2-methylsulfonylaniline;hydrochloride
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2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
2-(2-methylsulfonylanilino)acetaldehyde
CID 21244567
2-[2-(bromomethylsulfonylamino)phenyl]acetamide
CID 83083723
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 43453491
1-bromo-N-[2-(triazol-1-yl)phenyl]methanesulfonamide
CID 83084408
1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 83084278

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide (CID 83084505) is 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide is CS(=O)(=O)c1ccccc1NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide?
The InChIKey is QCVYXUSADQYFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S2/c1-15(11,12)8-5-3-2-4-7(8)10-16(13,14)6-9/h2-5,10H,6H2,1H3.
What are the key properties of 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide?
1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide has a molecular weight of 328.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 83084505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).