2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide

C11H14BrFN2O2S2 — CID 106492099

IUPAC2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC1CCCSC1
InChIInChI=1S/C11H14BrFN2O2S2/c12-8-4-11(10(14)5-9(8)13)19(16,17)15-7-2-1-3-18-6-7/h4-5,7,15H,1-3,6,14H2
InChIKeyARBPTRJPPNSKJG-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.34
Rot. Bonds3

About 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide (PubChem CID 106492099) has the molecular formula C11H14BrFN2O2S2 and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
PubChem CID106492099
Molecular FormulaC11H14BrFN2O2S2
Molecular Weight369.28 g/mol
Exact Mass367.97
IUPAC Name2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC1CCCSC1
InChIInChI=1S/C11H14BrFN2O2S2/c12-8-4-11(10(14)5-9(8)13)19(16,17)15-7-2-1-3-18-6-7/h4-5,7,15H,1-3,6,14H2
InChIKeyARBPTRJPPNSKJG-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.34
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-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
2,5-dibromo-4-methyl-N-(thian-3-yl)benzenesulfonamide
CID 115698659
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180872
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 106491289
3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
CID 107407005
5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081605
2-amino-5-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 106491998
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
2-amino-5-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106491942

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide (CID 106492099) is 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)NC1CCCSC1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide?
The InChIKey is ARBPTRJPPNSKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S2/c12-8-4-11(10(14)5-9(8)13)19(16,17)15-7-2-1-3-18-6-7/h4-5,7,15H,1-3,6,14H2.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide is sourced from PubChem (CID 106492099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).