(2-bromo-6-methylphenyl)methanesulfonamide

C8H10BrNO2S — CID 130648675

IUPAC(2-bromo-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(Br)c1CS(N)(=O)=O
InChIInChI=1S/C8H10BrNO2S/c1-6-3-2-4-8(9)7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyGCNGXWPRNUYZHI-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.55
Rot. Bonds2

About (2-bromo-6-methylphenyl)methanesulfonamide

(2-bromo-6-methylphenyl)methanesulfonamide (PubChem CID 130648675) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is (2-bromo-6-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(2-bromo-6-methylphenyl)methanesulfonamide
PubChem CID130648675
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name(2-bromo-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(Br)c1CS(N)(=O)=O
InChIInChI=1S/C8H10BrNO2S/c1-6-3-2-4-8(9)7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyGCNGXWPRNUYZHI-UHFFFAOYSA-N
XLogP1.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethylphenyl)methanesulfonamide
CID 23161120
(2-chloro-6-methylphenyl)methanesulfonamide
CID 86163288
2-(2,6-dimethylphenyl)ethanesulfonamide
CID 13480198
(2-bromo-6-methylphenyl)methanethiol
CID 58959751
2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-(2-bromo-6-methylphenyl)-3-chloropropan-2-one
CID 130766658
1-bromo-3-methyl-2-(methylperoxymethyl)benzene
CID 54153864
3-bromo-2-(propylsulfonylmethyl)aniline
CID 43444822
3-(2-bromo-6-methylphenyl)-N-methylpropan-1-amine
CID 84737080

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-methylphenyl)methanesulfonamide?
The IUPAC name of (2-bromo-6-methylphenyl)methanesulfonamide (CID 130648675) is (2-bromo-6-methylphenyl)methanesulfonamide.
What is the SMILES notation for (2-bromo-6-methylphenyl)methanesulfonamide?
The canonical SMILES for (2-bromo-6-methylphenyl)methanesulfonamide is Cc1cccc(Br)c1CS(N)(=O)=O.
What is the InChIKey of (2-bromo-6-methylphenyl)methanesulfonamide?
The InChIKey is GCNGXWPRNUYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-6-3-2-4-8(9)7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of (2-bromo-6-methylphenyl)methanesulfonamide?
(2-bromo-6-methylphenyl)methanesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-methylphenyl)methanesulfonamide is sourced from PubChem (CID 130648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).