2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H13BrN2O3S — CID 43258905

IUPAC2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2O3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5,11H2,1H3
InChIKeyBWWVTJVXOGNCGY-UHFFFAOYSA-N
MW309.19 g/mol
LogP0.64
Rot. Bonds4

About 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 43258905) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID43258905
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC Name2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2O3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5,11H2,1H3
InChIKeyBWWVTJVXOGNCGY-UHFFFAOYSA-N
XLogP0.64
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 116527699
methyl 4-[(2-amino-4-bromophenyl)sulfonyl-methylamino]butanoate
CID 61105145
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854
2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
CID 114380401

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 43258905) is 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is BWWVTJVXOGNCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5,11H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 309.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43258905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).