2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H14BrFN2O4S2 — CID 106491921

IUPAC2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O4S2/c1-14(3-4-19(2,15)16)20(17,18)10-5-7(11)8(12)6-9(10)13/h5-6H,3-4,13H2,1-2H3
InChIKeyXJDZBVJHPZJFBI-UHFFFAOYSA-N
MW389.27 g/mol
LogP0.84
Rot. Bonds5

About 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 106491921) has the molecular formula C10H14BrFN2O4S2 and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID106491921
Molecular FormulaC10H14BrFN2O4S2
Molecular Weight389.27 g/mol
Exact Mass387.96
IUPAC Name2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O4S2/c1-14(3-4-19(2,15)16)20(17,18)10-5-7(11)8(12)6-9(10)13/h5-6H,3-4,13H2,1-2H3
InChIKeyXJDZBVJHPZJFBI-UHFFFAOYSA-N
XLogP0.84
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
2-amino-5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 106491934
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
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-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106491551

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 106491921) is 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is XJDZBVJHPZJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O4S2/c1-14(3-4-19(2,15)16)20(17,18)10-5-7(11)8(12)6-9(10)13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 389.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 106491921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).