N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide

C19H23NO4S — CID 1293621

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H23NO4S/c1-23-17-9-7-16(8-10-17)19(11-13-24-14-12-19)15-20-25(21,22)18-5-3-2-4-6-18/h2-10,20H,11-15H2,1H3
InChIKeyODTTVFOGXDKGCL-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.72
Rot. Bonds6

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (PubChem CID 1293621) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
PubChem CID1293621
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H23NO4S/c1-23-17-9-7-16(8-10-17)19(11-13-24-14-12-19)15-20-25(21,22)18-5-3-2-4-6-18/h2-10,20H,11-15H2,1H3
InChIKeyODTTVFOGXDKGCL-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (CID 1293621) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is COc1ccc(C2(CNS(=O)(=O)c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The InChIKey is ODTTVFOGXDKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-23-17-9-7-16(8-10-17)19(11-13-24-14-12-19)15-20-25(21,22)18-5-3-2-4-6-18/h2-10,20H,11-15H2,1H3.
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1293621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).