2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C13H13BrFN3O2S — CID 106491482

IUPAC2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C13H13BrFN3O2S/c14-10-6-13(12(16)7-11(10)15)21(19,20)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8,18H,3,5,16H2
InChIKeyATNYQXIURNWKFQ-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.09
Rot. Bonds5

About 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 106491482) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID106491482
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C13H13BrFN3O2S/c14-10-6-13(12(16)7-11(10)15)21(19,20)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8,18H,3,5,16H2
InChIKeyATNYQXIURNWKFQ-UHFFFAOYSA-N
XLogP2.09
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.09
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

2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
5-bromo-2,4-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 102853347
2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106492166
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
2-amino-5-bromo-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 106491747
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 106491482) is 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)NCCc1cccnc1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is ATNYQXIURNWKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c14-10-6-13(12(16)7-11(10)15)21(19,20)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8,18H,3,5,16H2.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.09, 5 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-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106491482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).