N-benzyl-1-bromomethanesulfonamide

C8H10BrNO2S — CID 75373678

IUPACN-benzyl-1-bromomethanesulfonamide
SMILESO=S(=O)(CBr)NCc1ccccc1
InChIInChI=1S/C8H10BrNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyWTDLSSFNNNTAFR-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.46
Rot. Bonds4

About N-benzyl-1-bromomethanesulfonamide

N-benzyl-1-bromomethanesulfonamide (PubChem CID 75373678) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-benzyl-1-bromomethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-bromomethanesulfonamide
PubChem CID75373678
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-benzyl-1-bromomethanesulfonamide
SMILESO=S(=O)(CBr)NCc1ccccc1
InChIInChI=1S/C8H10BrNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyWTDLSSFNNNTAFR-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide
CID 83092326
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
benzylsulfamic acid;ethane
CID 154691965
1-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]methanesulfonamide
CID 83085394
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
CID 70601747
CID 70601747
sodium N-benzylsulfamate
CID 23702294
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015
1-bromo-N-(3-phenylmethoxypropyl)methanesulfonamide
CID 83085395
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-bromomethanesulfonamide?
The IUPAC name of N-benzyl-1-bromomethanesulfonamide (CID 75373678) is N-benzyl-1-bromomethanesulfonamide.
What is the SMILES notation for N-benzyl-1-bromomethanesulfonamide?
The canonical SMILES for N-benzyl-1-bromomethanesulfonamide is O=S(=O)(CBr)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-bromomethanesulfonamide?
The InChIKey is WTDLSSFNNNTAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-benzyl-1-bromomethanesulfonamide?
N-benzyl-1-bromomethanesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-bromomethanesulfonamide is sourced from PubChem (CID 75373678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).