N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide

C9H13BrN2O2S — CID 62688610

IUPACN-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-12(7-6-11)15(13,14)9-5-3-2-4-8(9)10/h2-5H,6-7,11H2,1H3
InChIKeyMPCLCJRNOGUDAY-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.03
Rot. Bonds4

About N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide

N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide (PubChem CID 62688610) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
PubChem CID62688610
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC NameN-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-12(7-6-11)15(13,14)9-5-3-2-4-8(9)10/h2-5H,6-7,11H2,1H3
InChIKeyMPCLCJRNOGUDAY-UHFFFAOYSA-N
XLogP1.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
3-[(2-bromophenyl)sulfonyl-methylamino]propanoic acid
CID 60990026
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544462
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915497
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide (CID 62688610) is N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide is CN(CCN)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide?
The InChIKey is MPCLCJRNOGUDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-12(7-6-11)15(13,14)9-5-3-2-4-8(9)10/h2-5H,6-7,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide?
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide has a molecular weight of 293.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 62688610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).