2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide

C9H13BrN2O2S — CID 61410493

IUPAC2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C9H13BrN2O2S/c10-9-3-1-2-8(6-9)7-12-15(13,14)5-4-11/h1-3,6,12H,4-5,7,11H2
InChIKeyIEEKFFRJTCREEL-UHFFFAOYSA-N
MW293.19 g/mol
LogP0.83
Rot. Bonds5

About 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide

2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide (PubChem CID 61410493) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
PubChem CID61410493
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C9H13BrN2O2S/c10-9-3-1-2-8(6-9)7-12-15(13,14)5-4-11/h1-3,6,12H,4-5,7,11H2
InChIKeyIEEKFFRJTCREEL-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 63373516
N-[(3-bromophenyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979894
2-[(3-bromophenyl)methylsulfamoyl]acetic acid
CID 61401339
N-[(3-bromophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604294
N-[(3-bromophenyl)methylsulfamoyl]aniline
CID 166696368
4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 61400770
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
2-amino-N-[(3-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 61400854
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015
3-amino-N-[(3-bromophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide (CID 61410493) is 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide is NCCS(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide?
The InChIKey is IEEKFFRJTCREEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c10-9-3-1-2-8(6-9)7-12-15(13,14)5-4-11/h1-3,6,12H,4-5,7,11H2.
What are the key properties of 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide?
2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide has a molecular weight of 293.19 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 61410493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).