N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide

C19H16F2N2O3S — CID 2728410

IUPACN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C19H16F2N2O3S/c1-13-4-6-17(7-5-13)27(24,25)23-19-18(3-2-8-22-19)26-12-14-9-15(20)11-16(21)10-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyKLPMLCIMZRCOPW-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide

N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 2728410) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID2728410
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C19H16F2N2O3S/c1-13-4-6-17(7-5-13)27(24,25)23-19-18(3-2-8-22-19)26-12-14-9-15(20)11-16(21)10-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyKLPMLCIMZRCOPW-UHFFFAOYSA-N
XLogP4.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
5-(3-Fluoro-4-methylsulfonyl-phenyl)-3-(6-methoxy-3-pyridyl)pyridin-2-amine
CID 53311568
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
3-(6-Methoxy-3-pyridyl)-5-(4-morpholinosulfonylphenyl)pyridin-2-amine
CID 68305342
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
N,N-dimethyl-3-[(2-nitro-3-pyridinyl)oxymethyl]benzenesulfonamide
CID 8896319
3-{[3-(Trifluoromethyl)benzyl]oxy}-2-pyridinamine
CID 1485767
N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yloxy)-2-hydroxy-propylamino]-ethyl}-phenyl)-4-isopropyl-benzenesulfonamide
CID 9826638
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzenesulfonamide
CID 53311066
N-tert-Butyl-4'-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3'-fluorobiphenyl-2-sulfonamide
CID 90313257
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide (CID 2728410) is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is KLPMLCIMZRCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c1-13-4-6-17(7-5-13)27(24,25)23-19-18(3-2-8-22-19)26-12-14-9-15(20)11-16(21)10-14/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 390.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2728410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).