2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

C16H25NO6S2 — CID 110619213

IUPAC2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C16H25NO6S2/c1-17(10-9-13-6-4-5-11-23-13)25(20,21)16-12-14(24(3,18)19)7-8-15(16)22-2/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyWSYQEQVUMMREBY-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.68
Rot. Bonds7

About 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110619213) has the molecular formula C16H25NO6S2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID110619213
Molecular FormulaC16H25NO6S2
Molecular Weight391.51 g/mol
Exact Mass391.11
IUPAC Name2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C16H25NO6S2/c1-17(10-9-13-6-4-5-11-23-13)25(20,21)16-12-14(24(3,18)19)7-8-15(16)22-2/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyWSYQEQVUMMREBY-UHFFFAOYSA-N
XLogP1.68
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 99931540
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
CID 110604942
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 131939267
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 110619213) is 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CCC1CCCCO1.
What is the InChIKey of 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WSYQEQVUMMREBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO6S2/c1-17(10-9-13-6-4-5-11-23-13)25(20,21)16-12-14(24(3,18)19)7-8-15(16)22-2/h7-8,12-13H,4-6,9-11H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110619213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).