2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide

C12H10ClF2N3O2S — CID 71967597

IUPAC2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1cc(F)ccc1F)S(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H10ClF2N3O2S/c1-18(10-5-8(14)2-3-9(10)15)21(19,20)11-4-7(13)6-17-12(11)16/h2-6H,1H3,(H2,16,17)
InChIKeyCGLKIYQIAAFNCV-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide

2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 71967597) has the molecular formula C12H10ClF2N3O2S and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide
PubChem CID71967597
Molecular FormulaC12H10ClF2N3O2S
Molecular Weight333.75 g/mol
Exact Mass333.02
IUPAC Name2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1cc(F)ccc1F)S(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H10ClF2N3O2S/c1-18(10-5-8(14)2-3-9(10)15)21(19,20)11-4-7(13)6-17-12(11)16/h2-6H,1H3,(H2,16,17)
InChIKeyCGLKIYQIAAFNCV-UHFFFAOYSA-N
XLogP2.42
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide (CID 71967597) is 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide is CN(c1cc(F)ccc1F)S(=O)(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is CGLKIYQIAAFNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O2S/c1-18(10-5-8(14)2-3-9(10)15)21(19,20)11-4-7(13)6-17-12(11)16/h2-6H,1H3,(H2,16,17).
What are the key properties of 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide?
2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 333.75 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 71967597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).