N-(bromomethyl)-1-phenylmethanesulfonamide

C8H10BrNO2S — CID 174927038

IUPACN-(bromomethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCBr
InChIInChI=1S/C8H10BrNO2S/c9-7-10-13(11,12)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyDYAQAKOMBOFACU-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.46
Rot. Bonds4

About N-(bromomethyl)-1-phenylmethanesulfonamide

N-(bromomethyl)-1-phenylmethanesulfonamide (PubChem CID 174927038) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-(bromomethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(bromomethyl)-1-phenylmethanesulfonamide
PubChem CID174927038
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-(bromomethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCBr
InChIInChI=1S/C8H10BrNO2S/c9-7-10-13(11,12)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyDYAQAKOMBOFACU-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
N-iodo-1-phenylmethanesulfonamide
CID 88874569
N-benzyl-1-bromomethanesulfonamide
CID 75373678
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
2-(benzylsulfonylamino)ethanethioamide
CID 61127504
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
N-(2-cyanoethyl)-1-phenylmethanesulfonamide
CID 3754480
N-benzylsulfonylbenzenesulfonamide
CID 102116917

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(bromomethyl)-1-phenylmethanesulfonamide (CID 174927038) is N-(bromomethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(bromomethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(bromomethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCBr.
What is the InChIKey of N-(bromomethyl)-1-phenylmethanesulfonamide?
The InChIKey is DYAQAKOMBOFACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c9-7-10-13(11,12)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-(bromomethyl)-1-phenylmethanesulfonamide?
N-(bromomethyl)-1-phenylmethanesulfonamide 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-(bromomethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 174927038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).