2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide

C11H8Cl2FN3O2S — CID 107578079

IUPAC2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccn1
InChIInChI=1S/C11H8Cl2FN3O2S/c12-8-3-6(4-9(13)11(8)14)17-20(18,19)7-1-2-16-10(15)5-7/h1-5,17H,(H2,15,16)
InChIKeyMYLZGSYIZLATSI-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.91
Rot. Bonds3

About 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide

2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide (PubChem CID 107578079) has the molecular formula C11H8Cl2FN3O2S and a molecular weight of 336.18 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
PubChem CID107578079
Molecular FormulaC11H8Cl2FN3O2S
Molecular Weight336.18 g/mol
Exact Mass334.97
IUPAC Name2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccn1
InChIInChI=1S/C11H8Cl2FN3O2S/c12-8-3-6(4-9(13)11(8)14)17-20(18,19)7-1-2-16-10(15)5-7/h1-5,17H,(H2,15,16)
InChIKeyMYLZGSYIZLATSI-UHFFFAOYSA-N
XLogP2.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
N-(3-chloro-4-fluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003566
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
2-amino-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107571310
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
2-amino-N-(2,6-dibromophenyl)pyridine-4-sulfonamide
CID 107603165
2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004459
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
2-chloro-N-(2,3-difluorophenyl)pyridine-4-sulfonamide
CID 61076644
N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004703
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide (CID 107578079) is 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide is Nc1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccn1.
What is the InChIKey of 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide?
The InChIKey is MYLZGSYIZLATSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O2S/c12-8-3-6(4-9(13)11(8)14)17-20(18,19)7-1-2-16-10(15)5-7/h1-5,17H,(H2,15,16).
What are the key properties of 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide?
2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide has a molecular weight of 336.18 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 107578079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).