N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide

C10H14BrNO2S — CID 110787171

IUPACN-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(Br)ccc1C
InChIInChI=1S/C10H14BrNO2S/c1-3-15(13,14)12-7-9-6-10(11)5-4-8(9)2/h4-6,12H,3,7H2,1-2H3
InChIKeyQJQYFGRBONZAIZ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.20
Rot. Bonds4

About N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide

N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide (PubChem CID 110787171) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide
PubChem CID110787171
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(Br)ccc1C
InChIInChI=1S/C10H14BrNO2S/c1-3-15(13,14)12-7-9-6-10(11)5-4-8(9)2/h4-6,12H,3,7H2,1-2H3
InChIKeyQJQYFGRBONZAIZ-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]propan-1-amine
CID 65307998
N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 49244750
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 110784198
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
ethyl 3-[(5-bromo-2-methylphenyl)methylamino]-3-oxopropanoate
CID 115138564
1-(5-bromo-2-methylphenyl)-N-(methylsulfanylmethyl)methanamine
CID 91249682
3-[(5-bromo-2-methylphenyl)methylamino]propane-1-thiol
CID 115224928
N-[(5-bromo-2-methylphenyl)methyl]-3-oxobutanamide
CID 115176428
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116816016
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide (CID 110787171) is N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide?
The InChIKey is QJQYFGRBONZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-15(13,14)12-7-9-6-10(11)5-4-8(9)2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide?
N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 110787171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).