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

C20H24ClNO5S — CID 27450563

IUPAC3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)CCOCC2)cc1
InChIInChI=1S/C20H24ClNO5S/c1-25-16-5-3-15(4-6-16)20(9-11-27-12-10-20)14-22-28(23,24)17-7-8-19(26-2)18(21)13-17/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyRZRHRAOZKYCNOE-UHFFFAOYSA-N
MW425.93 g/mol
LogP3.38
Rot. Bonds7

About 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide

3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (PubChem CID 27450563) has the molecular formula C20H24ClNO5S and a molecular weight of 425.93 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
PubChem CID27450563
Molecular FormulaC20H24ClNO5S
Molecular Weight425.93 g/mol
Exact Mass425.11
IUPAC Name3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)CCOCC2)cc1
InChIInChI=1S/C20H24ClNO5S/c1-25-16-5-3-15(4-6-16)20(9-11-27-12-10-20)14-22-28(23,24)17-7-8-19(26-2)18(21)13-17/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyRZRHRAOZKYCNOE-UHFFFAOYSA-N
XLogP3.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.93
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
CID 27450504
3-chloro-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 52756763
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 47959613
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269288
4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451467
3-chloro-4-methoxy-N-[[(3S)-3-methoxythiolan-3-yl]methyl]benzenesulfonamide
CID 97414736
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 27450599
3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 90535862
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (CID 27450563) is 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is COc1ccc(C2(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)CCOCC2)cc1.
What is the InChIKey of 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The InChIKey is RZRHRAOZKYCNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO5S/c1-25-16-5-3-15(4-6-16)20(9-11-27-12-10-20)14-22-28(23,24)17-7-8-19(26-2)18(21)13-17/h3-8,13,22H,9-12,14H2,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide has a molecular weight of 425.93 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 27450563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).