3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C13H13ClFN3O2S — CID 103050583

IUPAC3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(N)c1F)c1ccccn1
InChIInChI=1S/C13H13ClFN3O2S/c1-8(11-4-2-3-5-17-11)18-21(19,20)12-7-9(14)6-10(16)13(12)15/h2-8,18H,16H2,1H3
InChIKeyVECURNWGRBPUQM-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 103050583) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID103050583
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC Name3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(N)c1F)c1ccccn1
InChIInChI=1S/C13H13ClFN3O2S/c1-8(11-4-2-3-5-17-11)18-21(19,20)12-7-9(14)6-10(16)13(12)15/h2-8,18H,16H2,1H3
InChIKeyVECURNWGRBPUQM-UHFFFAOYSA-N
XLogP2.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.50
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

3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
CID 103050176
5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524314
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 103050305
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103988860
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 61299506
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 103050583) is 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)cc(N)c1F)c1ccccn1.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is VECURNWGRBPUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/c1-8(11-4-2-3-5-17-11)18-21(19,20)12-7-9(14)6-10(16)13(12)15/h2-8,18H,16H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103050583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).