2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide

C18H15ClFN3O3S — CID 166328062

IUPAC2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H15ClFN3O3S/c19-13-8-17(18(21)22-10-13)27(24,25)23-15-2-1-3-16(9-15)26-11-12-4-6-14(20)7-5-12/h1-10,23H,11H2,(H2,21,22)
InChIKeyLCGFSPWAMUPLGG-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.84
Rot. Bonds6

About 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide

2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide (PubChem CID 166328062) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
PubChem CID166328062
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC Name2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H15ClFN3O3S/c19-13-8-17(18(21)22-10-13)27(24,25)23-15-2-1-3-16(9-15)26-11-12-4-6-14(20)7-5-12/h1-10,23H,11H2,(H2,21,22)
InChIKeyLCGFSPWAMUPLGG-UHFFFAOYSA-N
XLogP3.84
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide
CID 136517667
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
2-amino-N-(3-chlorophenyl)pyridine-3-sulfonamide
CID 62144853
1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
CID 168639837
6-amino-5-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 64608125
N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166335528
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 167961495
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide (CID 166328062) is 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide is Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide?
The InChIKey is LCGFSPWAMUPLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c19-13-8-17(18(21)22-10-13)27(24,25)23-15-2-1-3-16(9-15)26-11-12-4-6-14(20)7-5-12/h1-10,23H,11H2,(H2,21,22).
What are the key properties of 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide?
2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide has a molecular weight of 407.85 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 166328062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).