N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide

C9H12BrNO2S — CID 126558714

IUPACN-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide
SMILESCc1cc(Br)cc(CNS(C)(=O)=O)c1
InChIInChI=1S/C9H12BrNO2S/c1-7-3-8(5-9(10)4-7)6-11-14(2,12)13/h3-5,11H,6H2,1-2H3
InChIKeyYUAAKEXSKPSEDM-UHFFFAOYSA-N
MW278.17 g/mol
LogP1.81
Rot. Bonds3

About N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide

N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide (PubChem CID 126558714) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide
PubChem CID126558714
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide
SMILESCc1cc(Br)cc(CNS(C)(=O)=O)c1
InChIInChI=1S/C9H12BrNO2S/c1-7-3-8(5-9(10)4-7)6-11-14(2,12)13/h3-5,11H,6H2,1-2H3
InChIKeyYUAAKEXSKPSEDM-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide
CID 59534656
1-bromo-3-fluoro-5-methoxybenzene;N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide;methanamine
CID 162132009
methyl 2-[(3-bromo-5-methylphenyl)methylamino]acetate
CID 176676852
1-bromo-3-ethyl-5-methylbenzene;ethane
CID 142064327
2-N-[(3-bromo-5-methylphenyl)methyl]propane-1,2-diamine
CID 104851447
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
3-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 110614185
N-[(3-bromo-5-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113460567
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
CID 70601747
CID 70601747
N-[(3-bromo-5-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 104851468
N-[(3,5-dimethylphenyl)methyl]-2-methylsulfonylethanamine
CID 61030356

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide (CID 126558714) is N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide is Cc1cc(Br)cc(CNS(C)(=O)=O)c1.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide?
The InChIKey is YUAAKEXSKPSEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-7-3-8(5-9(10)4-7)6-11-14(2,12)13/h3-5,11H,6H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide?
N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide has a molecular weight of 278.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 126558714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).