2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide

C9H13BrN2O2S — CID 107582977

IUPAC2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)CCN)c1
InChIInChI=1S/C9H13BrN2O2S/c1-7-4-8(10)6-9(5-7)12-15(13,14)3-2-11/h4-6,12H,2-3,11H2,1H3
InChIKeyTXEFIRVSMNBJHC-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide

2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide (PubChem CID 107582977) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
PubChem CID107582977
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)CCN)c1
InChIInChI=1S/C9H13BrN2O2S/c1-7-4-8(10)6-9(5-7)12-15(13,14)3-2-11/h4-6,12H,2-3,11H2,1H3
InChIKeyTXEFIRVSMNBJHC-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 65491007
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107583973
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
2-amino-N-(3,5-difluorophenyl)ethanesulfonamide
CID 16792909
3-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 110614185
3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65491204
3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106089284
4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide
CID 120706185
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide (CID 107582977) is 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide is Cc1cc(Br)cc(NS(=O)(=O)CCN)c1.
What is the InChIKey of 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide?
The InChIKey is TXEFIRVSMNBJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-7-4-8(10)6-9(5-7)12-15(13,14)3-2-11/h4-6,12H,2-3,11H2,1H3.
What are the key properties of 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide?
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide has a molecular weight of 293.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 107582977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).