N-[(2-bromophenyl)methyl]methanesulfonamide

C8H10BrNO2S — CID 17383997

IUPACN-[(2-bromophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
InChIKeyVGMAKIRRZLTEOW-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.50
Rot. Bonds3

About N-[(2-bromophenyl)methyl]methanesulfonamide

N-[(2-bromophenyl)methyl]methanesulfonamide (PubChem CID 17383997) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]methanesulfonamide
PubChem CID17383997
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-[(2-bromophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
InChIKeyVGMAKIRRZLTEOW-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromobenzylamine
CID 334072
N-benzylmethanesulfonamide
CID 235490
1-(2-Bromophenyl)methanamine hydrochloride
CID 2724202
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[(4-bromophenyl)methyl]-2-[2-(dimethylamino)ethyl-methylamino]ethanesulfonamide
CID 76310307
1-(4-Bromophenyl)-N-propylmethanesulfonamide
CID 17741333
N-((2-Bromophenyl)methyl)-4-methylbenzenesulfonamide
CID 53342357
N-((3-bromophenyl)methyl)methanesulfonamide
CID 6464358
N-((1S)-1-(4-bromophenyl)ethyl)methanesulfonamide
CID 28560459
N-[(4-bromophenyl)methyl]-N-methylmethanesulfonamide
CID 60681431
N-benzyl-1-bromoethenesulfonamide
CID 53240217
N-[3-(3-bromophenyl)propyl]methanesulfonamide
CID 60278132

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]methanesulfonamide (CID 17383997) is N-[(2-bromophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]methanesulfonamide?
The InChIKey is VGMAKIRRZLTEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]methanesulfonamide?
N-[(2-bromophenyl)methyl]methanesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 17383997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).