3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

C11H13Cl2NO4S — CID 103848049

IUPAC3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c12-8-3-9(13)5-10(4-8)19(16,17)14-6-11(15)1-2-18-7-11/h3-5,14-15H,1-2,6-7H2
InChIKeyAOLLRNKYKIEHHH-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.42
Rot. Bonds4

About 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (PubChem CID 103848049) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
PubChem CID103848049
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c12-8-3-9(13)5-10(4-8)19(16,17)14-6-11(15)1-2-18-7-11/h3-5,14-15H,1-2,6-7H2
InChIKeyAOLLRNKYKIEHHH-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099275
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 103848059
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106099827
2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848197
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
5-chloro-2-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848172
4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106100372
4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099213

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (CID 103848049) is 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The InChIKey is AOLLRNKYKIEHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c12-8-3-9(13)5-10(4-8)19(16,17)14-6-11(15)1-2-18-7-11/h3-5,14-15H,1-2,6-7H2.
What are the key properties of 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide has a molecular weight of 326.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103848049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).