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

C14H19NO5S — CID 106298751

IUPAC3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C14H19NO5S/c1-11(17)12-3-2-4-13(9-12)21(18,19)15-14(10-16)5-7-20-8-6-14/h2-4,9,15-16H,5-8,10H2,1H3
InChIKeyFHACQOUJRCQHKH-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.71
Rot. Bonds5

About 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (PubChem CID 106298751) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
PubChem CID106298751
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C14H19NO5S/c1-11(17)12-3-2-4-13(9-12)21(18,19)15-14(10-16)5-7-20-8-6-14/h2-4,9,15-16H,5-8,10H2,1H3
InChIKeyFHACQOUJRCQHKH-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

4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
CID 115767116
N-[4-(aminomethyl)oxan-4-yl]-3-methylbenzenesulfonamide
CID 106297755
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
2-[3-[[3-(difluoromethyl)phenyl]sulfonylamino]oxolan-3-yl]acetic acid
CID 138000547
3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
CID 113485339
N-[4-(bromomethyl)oxan-4-yl]-3-methylsulfonylbenzamide
CID 106300829

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (CID 106298751) is 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC2(CO)CCOCC2)c1.
What is the InChIKey of 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The InChIKey is FHACQOUJRCQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-11(17)12-3-2-4-13(9-12)21(18,19)15-14(10-16)5-7-20-8-6-14/h2-4,9,15-16H,5-8,10H2,1H3.
What are the key properties of 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
3-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 3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 106298751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).