2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide

C21H27NO6S — CID 27450418

IUPAC2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3cc(OC)ccc3OC)CCOCC2)cc1
InChIInChI=1S/C21H27NO6S/c1-25-17-6-4-16(5-7-17)21(10-12-28-13-11-21)15-22-29(23,24)20-14-18(26-2)8-9-19(20)27-3/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyPYMXSLJYUIQBGG-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.74
Rot. Bonds8

About 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide

2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (PubChem CID 27450418) has the molecular formula C21H27NO6S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
PubChem CID27450418
Molecular FormulaC21H27NO6S
Molecular Weight421.52 g/mol
Exact Mass421.16
IUPAC Name2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3cc(OC)ccc3OC)CCOCC2)cc1
InChIInChI=1S/C21H27NO6S/c1-25-17-6-4-16(5-7-17)21(10-12-28-13-11-21)15-22-29(23,24)20-14-18(26-2)8-9-19(20)27-3/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyPYMXSLJYUIQBGG-UHFFFAOYSA-N
XLogP2.74
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
CID 27450504
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,4-dimethylbenzenesulfonamide
CID 42269391
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 42269408
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 27450599
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
2-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-5-methylbenzenesulfonamide
CID 27451528
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113090862

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (CID 27450418) is 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is COc1ccc(C2(CNS(=O)(=O)c3cc(OC)ccc3OC)CCOCC2)cc1.
What is the InChIKey of 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The InChIKey is PYMXSLJYUIQBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S/c1-25-17-6-4-16(5-7-17)21(10-12-28-13-11-21)15-22-29(23,24)20-14-18(26-2)8-9-19(20)27-3/h4-9,14,22H,10-13,15H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 27450418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).