N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide

C19H23NO4S — CID 122230316

IUPACN-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@H]2OCC[C@H]2CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-3-9-18(10-4-14)25(21,22)20-13-16-11-12-24-19(16)15-5-7-17(23-2)8-6-15/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+/m0/s1
InChIKeyUGXZFXWFUJNWCK-QFBILLFUSA-N
MW361.46 g/mol
LogP3.06
Rot. Bonds6

About N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide

N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 122230316) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID122230316
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@H]2OCC[C@H]2CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-3-9-18(10-4-14)25(21,22)20-13-16-11-12-24-19(16)15-5-7-17(23-2)8-6-15/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+/m0/s1
InChIKeyUGXZFXWFUJNWCK-QFBILLFUSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
CID 40597436
3-[(dimethylsulfamoylamino)methyl]-2-(4-methylphenyl)oxane
CID 71992982
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 86959916
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 129241457
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxybenzenesulfonamide
CID 3732053
[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
CID 11234300
N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124731317
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide (CID 122230316) is N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide is COc1ccc([C@H]2OCC[C@H]2CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is UGXZFXWFUJNWCK-QFBILLFUSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-3-9-18(10-4-14)25(21,22)20-13-16-11-12-24-19(16)15-5-7-17(23-2)8-6-15/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide?
N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122230316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).