5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide

C12H11ClFN3O2S — CID 61112651

IUPAC5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1F
InChIInChI=1S/C12H11ClFN3O2S/c13-9-5-10(14)11(15)6-12(9)20(18,19)17-7-8-3-1-2-4-16-8/h1-6,17H,7,15H2
InChIKeyQIIQTPCRNVURJF-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.93
Rot. Bonds4

About 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 61112651) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID61112651
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1F
InChIInChI=1S/C12H11ClFN3O2S/c13-9-5-10(14)11(15)6-12(9)20(18,19)17-7-8-3-1-2-4-16-8/h1-6,17H,7,15H2
InChIKeyQIIQTPCRNVURJF-UHFFFAOYSA-N
XLogP1.93
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.93
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

5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
5-amino-2-chloro-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61113797
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
5-amino-2-chloro-4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479655
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 61112651) is 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is QIIQTPCRNVURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c13-9-5-10(14)11(15)6-12(9)20(18,19)17-7-8-3-1-2-4-16-8/h1-6,17H,7,15H2.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 315.76 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61112651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).