6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide

C12H11ClFN3O2S — CID 64600904

IUPAC6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1cccc(F)c1)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2S/c1-17(9-4-2-3-8(14)5-9)20(18,19)10-6-11(13)12(15)16-7-10/h2-7H,1H3,(H2,15,16)
InChIKeyQZIGKCCBSAWNMK-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.28
Rot. Bonds3

About 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide

6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 64600904) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
PubChem CID64600904
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1cccc(F)c1)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2S/c1-17(9-4-2-3-8(14)5-9)20(18,19)10-6-11(13)12(15)16-7-10/h2-7H,1H3,(H2,15,16)
InChIKeyQZIGKCCBSAWNMK-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

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Related Compounds

6-amino-5-chloro-N-(3-methoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 64601866
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64602647
6-amino-5-chloro-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64606792
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64602441
N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62157049
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
6-amino-5-chloro-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83023337
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide (CID 64600904) is 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide is CN(c1cccc(F)c1)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is QZIGKCCBSAWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c1-17(9-4-2-3-8(14)5-9)20(18,19)10-6-11(13)12(15)16-7-10/h2-7H,1H3,(H2,15,16).
What are the key properties of 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide?
6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide 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 6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64600904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).