2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide

C9H12BrFN2O2S — CID 106491371

IUPAC2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C9H12BrFN2O2S/c1-3-13(2)16(14,15)9-4-6(10)7(11)5-8(9)12/h4-5H,3,12H2,1-2H3
InChIKeyMEFOLCTUCSSONL-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide

2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 106491371) has the molecular formula C9H12BrFN2O2S and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
PubChem CID106491371
Molecular FormulaC9H12BrFN2O2S
Molecular Weight311.18 g/mol
Exact Mass309.98
IUPAC Name2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C9H12BrFN2O2S/c1-3-13(2)16(14,15)9-4-6(10)7(11)5-8(9)12/h4-5H,3,12H2,1-2H3
InChIKeyMEFOLCTUCSSONL-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
2-amino-5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 106491934
2-amino-5-bromo-4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106491551
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 106491819
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 106491536
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide (CID 106491371) is 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide is CCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is MEFOLCTUCSSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O2S/c1-3-13(2)16(14,15)9-4-6(10)7(11)5-8(9)12/h4-5H,3,12H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide?
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 311.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 106491371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).