N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide

C20H24ClNO4S — CID 47959613

IUPACN-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1C1(CNS(=O)(=O)c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C20H24ClNO4S/c1-15-3-6-17(7-4-15)27(23,24)22-14-20(9-11-26-12-10-20)18-13-16(21)5-8-19(18)25-2/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyRJRYKZIJBLBEQQ-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.68
Rot. Bonds6

About N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide

N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 47959613) has the molecular formula C20H24ClNO4S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID47959613
Molecular FormulaC20H24ClNO4S
Molecular Weight409.94 g/mol
Exact Mass409.11
IUPAC NameN-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1C1(CNS(=O)(=O)c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C20H24ClNO4S/c1-15-3-6-17(7-4-15)27(23,24)22-14-20(9-11-26-12-10-20)18-13-16(21)5-8-19(18)25-2/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyRJRYKZIJBLBEQQ-UHFFFAOYSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 52756763
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 86839334
4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
CID 27450995
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-cyanobutane-1-sulfonamide
CID 56586785
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 27451012
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
(2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]propanamide
CID 119303817
(3R)-3-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]oxolan-2-one
CID 95624551
1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006264
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 110292782
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
CID 47388317

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide (CID 47959613) is N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide is COc1ccc(Cl)cc1C1(CNS(=O)(=O)c2ccc(C)cc2)CCOCC1.
What is the InChIKey of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is RJRYKZIJBLBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4S/c1-15-3-6-17(7-4-15)27(23,24)22-14-20(9-11-26-12-10-20)18-13-16(21)5-8-19(18)25-2/h3-8,13,22H,9-12,14H2,1-2H3.
What are the key properties of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 409.94 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 47959613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).