3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

C12H11ClFN3O2S — CID 106934412

IUPAC3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C12H11ClFN3O2S/c1-17(9-2-4-16-5-3-9)20(18,19)11-7-8(13)6-10(15)12(11)14/h2-7H,15H2,1H3
InChIKeySUCKFGKVENCCSA-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934412) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934412
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C12H11ClFN3O2S/c1-17(9-2-4-16-5-3-9)20(18,19)11-7-8(13)6-10(15)12(11)14/h2-7H,15H2,1H3
InChIKeySUCKFGKVENCCSA-UHFFFAOYSA-N
XLogP2.28
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934484
3-amino-5-chloro-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733389
3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733489
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 103050830
2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934446
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486
3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
CID 103052137
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103051544
3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934458

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934412) is 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is CN(c1ccncc1)S(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is SUCKFGKVENCCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c1-17(9-2-4-16-5-3-9)20(18,19)11-7-8(13)6-10(15)12(11)14/h2-7H,15H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 315.76 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).