N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide

C18H17NO3S2 — CID 169371575

IUPACN-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCc3ccco3)cc2)cc1
InChIInChI=1S/C18H17NO3S2/c1-14-4-10-18(11-5-14)24(20,21)19-15-6-8-17(9-7-15)23-13-16-3-2-12-22-16/h2-12,19H,13H2,1H3
InChIKeyGKAVJGGGAHCPFH-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.68
Rot. Bonds6

About N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide

N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371575) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169371575
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC NameN-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCc3ccco3)cc2)cc1
InChIInChI=1S/C18H17NO3S2/c1-14-4-10-18(11-5-14)24(20,21)19-15-6-8-17(9-7-15)23-13-16-3-2-12-22-16/h2-12,19H,13H2,1H3
InChIKeyGKAVJGGGAHCPFH-UHFFFAOYSA-N
XLogP4.68
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861
4-methyl-N-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]benzenesulfonamide
CID 141122627
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-[4-[(4-butoxyphenyl)methylsulfanyl]phenyl]-4-methylbenzenesulfonamide
CID 141122630
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
CID 1051878
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
N-(furan-2-ylmethyl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 26711931

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide (CID 169371575) is N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(SCc3ccco3)cc2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is GKAVJGGGAHCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-14-4-10-18(11-5-14)24(20,21)19-15-6-8-17(9-7-15)23-13-16-3-2-12-22-16/h2-12,19H,13H2,1H3.
What are the key properties of N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 359.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).