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

C10H12BrFN2O2S2 — CID 106492192

IUPAC2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H12BrFN2O2S2/c11-7-3-10(9(13)4-8(7)12)18(15,16)14-6-1-2-17-5-6/h3-4,6,14H,1-2,5,13H2
InChIKeyDDNWLSYZZBZNKJ-UHFFFAOYSA-N
MW355.25 g/mol
LogP1.95
Rot. Bonds3

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

2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 106492192) has the molecular formula C10H12BrFN2O2S2 and a molecular weight of 355.25 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID106492192
Molecular FormulaC10H12BrFN2O2S2
Molecular Weight355.25 g/mol
Exact Mass353.95
IUPAC Name2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H12BrFN2O2S2/c11-7-3-10(9(13)4-8(7)12)18(15,16)14-6-1-2-17-5-6/h3-4,6,14H,1-2,5,13H2
InChIKeyDDNWLSYZZBZNKJ-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 51.95
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-(thian-3-yl)benzenesulfonamide
CID 106492099
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180872
2-amino-5-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 106491998
2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064624
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 106491289
2-amino-5-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106491942
3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 107407116
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
2,5-dibromo-4-methyl-N-(thian-3-yl)benzenesulfonamide
CID 115698659

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide (CID 106492192) is 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is DDNWLSYZZBZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S2/c11-7-3-10(9(13)4-8(7)12)18(15,16)14-6-1-2-17-5-6/h3-4,6,14H,1-2,5,13H2.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 355.25 g/mol, XLogP of 1.95, 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-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106492192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).