2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide

C20H19NO3S2 — CID 1241942

IUPAC2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H19NO3S2/c1-15-12-13-18(24-2)20(14-15)26(22,23)21-17-10-6-7-11-19(17)25-16-8-4-3-5-9-16/h3-14,21H,1-2H3
InChIKeyKHPPYUSZDBJPIJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.96
Rot. Bonds6

About 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide

2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide (PubChem CID 1241942) has the molecular formula C20H19NO3S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
PubChem CID1241942
Molecular FormulaC20H19NO3S2
Molecular Weight385.51 g/mol
Exact Mass385.08
IUPAC Name2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H19NO3S2/c1-15-12-13-18(24-2)20(14-15)26(22,23)21-17-10-6-7-11-19(17)25-16-8-4-3-5-9-16/h3-14,21H,1-2H3
InChIKeyKHPPYUSZDBJPIJ-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
(E)-3-[3,4-dimethoxy-5-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2086855
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 28633920
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90563552
1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide (CID 1241942) is 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The InChIKey is KHPPYUSZDBJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S2/c1-15-12-13-18(24-2)20(14-15)26(22,23)21-17-10-6-7-11-19(17)25-16-8-4-3-5-9-16/h3-14,21H,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide has a molecular weight of 385.51 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 1241942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).