4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

C19H17FN2O2S2 — CID 24656479

IUPAC4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H17FN2O2S2/c1-14-11-16(20)4-9-19(14)26(23,24)22-17-5-7-18(8-6-17)25-13-15-3-2-10-21-12-15/h2-12,22H,13H2,1H3
InChIKeyIILVTBYKCPZTDM-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.62
Rot. Bonds6

About 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide (PubChem CID 24656479) has the molecular formula C19H17FN2O2S2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
PubChem CID24656479
Molecular FormulaC19H17FN2O2S2
Molecular Weight388.49 g/mol
Exact Mass388.07
IUPAC Name4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H17FN2O2S2/c1-14-11-16(20)4-9-19(14)26(23,24)22-17-5-7-18(8-6-17)25-13-15-3-2-10-21-12-15/h2-12,22H,13H2,1H3
InChIKeyIILVTBYKCPZTDM-UHFFFAOYSA-N
XLogP4.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide
CID 16579664
4-methoxy-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid
CID 24602714
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 20995722
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
4-fluoro-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 24656485
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
3-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 16615876
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide (CID 24656479) is 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide?
The InChIKey is IILVTBYKCPZTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S2/c1-14-11-16(20)4-9-19(14)26(23,24)22-17-5-7-18(8-6-17)25-13-15-3-2-10-21-12-15/h2-12,22H,13H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24656479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).