3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

C16H23NO4S — CID 110604973

IUPAC3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCC2CCCCO2)c1
InChIInChI=1S/C16H23NO4S/c1-13(18)14-6-5-8-16(12-14)22(19,20)17(2)10-9-15-7-3-4-11-21-15/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3
InChIKeyIIYXMDQJXZSFFP-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.47
Rot. Bonds6

About 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110604973) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID110604973
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCC2CCCCO2)c1
InChIInChI=1S/C16H23NO4S/c1-13(18)14-6-5-8-16(12-14)22(19,20)17(2)10-9-15-7-3-4-11-21-15/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3
InChIKeyIIYXMDQJXZSFFP-UHFFFAOYSA-N
XLogP2.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
3-acetyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)benzenesulfonamide
CID 90607213
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
CID 124749501
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110619213
3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63274742

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 110604973) is 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)CCC2CCCCO2)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is IIYXMDQJXZSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-13(18)14-6-5-8-16(12-14)22(19,20)17(2)10-9-15-7-3-4-11-21-15/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3.
What are the key properties of 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110604973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).