N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide

C12H10Cl2FN3O2S — CID 107578094

IUPACN-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1
InChIInChI=1S/C12H10Cl2FN3O2S/c1-16-11-3-2-8(6-17-11)21(19,20)18-7-4-9(13)12(15)10(14)5-7/h2-6,18H,1H3,(H,16,17)
InChIKeySSRAWNXEUBJOGD-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.37
Rot. Bonds4

About N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide

N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 107578094) has the molecular formula C12H10Cl2FN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID107578094
Molecular FormulaC12H10Cl2FN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.99
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1
InChIInChI=1S/C12H10Cl2FN3O2S/c1-16-11-3-2-8(6-17-11)21(19,20)18-7-4-9(13)12(15)10(14)5-7/h2-6,18H,1H3,(H,16,17)
InChIKeySSRAWNXEUBJOGD-UHFFFAOYSA-N
XLogP3.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.37
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

N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
2-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107578079
N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62144164
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245
N-[4-(2-hydroxyethyl)phenyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62146746
N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide (CID 107578094) is N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is SSRAWNXEUBJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O2S/c1-16-11-3-2-8(6-17-11)21(19,20)18-7-4-9(13)12(15)10(14)5-7/h2-6,18H,1H3,(H,16,17).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107578094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).