4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

C14H19NO5S — CID 106299081

IUPAC4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-11(17)12-2-4-13(5-3-12)21(18,19)15-14(10-16)6-8-20-9-7-14/h2-5,15-16H,6-10H2,1H3
InChIKeyKNUBECJGVXSXLD-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.71
Rot. Bonds5

About 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (PubChem CID 106299081) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
PubChem CID106299081
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-11(17)12-2-4-13(5-3-12)21(18,19)15-14(10-16)6-8-20-9-7-14/h2-5,15-16H,6-10H2,1H3
InChIKeyKNUBECJGVXSXLD-UHFFFAOYSA-N
XLogP0.71
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751
1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
CID 114170427
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide
CID 106299010
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 106296983
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
3-amino-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzenesulfonamide
CID 106296764
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (CID 106299081) is 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2(CO)CCOCC2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The InChIKey is KNUBECJGVXSXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-11(17)12-2-4-13(5-3-12)21(18,19)15-14(10-16)6-8-20-9-7-14/h2-5,15-16H,6-10H2,1H3.
What are the key properties of 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 106299081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).