N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

C11H15NO4S — CID 103848060

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1ccccc1
InChIInChI=1S/C11H15NO4S/c13-11(6-7-16-9-11)8-12-17(14,15)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKeyRITYKRRSYBEGFY-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.12
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (PubChem CID 103848060) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
PubChem CID103848060
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1ccccc1
InChIInChI=1S/C11H15NO4S/c13-11(6-7-16-9-11)8-12-17(14,15)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKeyRITYKRRSYBEGFY-UHFFFAOYSA-N
XLogP0.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 103848059
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848108
4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106099827
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 103848198
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 106100368
4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099275

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (CID 103848060) is N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOC1)c1ccccc1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The InChIKey is RITYKRRSYBEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c13-11(6-7-16-9-11)8-12-17(14,15)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2.
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103848060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).