2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide

C11H13Cl2NO4S — CID 43342542

IUPAC2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CCCO2)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO4S/c12-10-8(18-6-7-2-1-5-17-7)3-4-9(11(10)13)19(14,15)16/h3-4,7H,1-2,5-6H2,(H2,14,15,16)
InChIKeyGJXDFHZOUUTBQG-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.20
Rot. Bonds4

About 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide

2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide (PubChem CID 43342542) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
PubChem CID43342542
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CCCO2)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO4S/c12-10-8(18-6-7-2-1-5-17-7)3-4-9(11(10)13)19(14,15)16/h3-4,7H,1-2,5-6H2,(H2,14,15,16)
InChIKeyGJXDFHZOUUTBQG-UHFFFAOYSA-N
XLogP2.20
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-2-(oxan-2-ylmethoxy)benzenesulfonamide
CID 43592059
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
2-methyl-5-nitro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
CID 43342372
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
5-methyl-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
CID 43591843
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate
CID 40895496
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497
5-methyl-2-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163103
oxolan-2-ylmethyl 3-chloro-4-methyl-5-sulfamoylbenzoate
CID 65379651
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
4-bromo-3-(oxolan-2-ylmethoxy)aniline
CID 103008573

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide (CID 43342542) is 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCC2CCCO2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide?
The InChIKey is GJXDFHZOUUTBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c12-10-8(18-6-7-2-1-5-17-7)3-4-9(11(10)13)19(14,15)16/h3-4,7H,1-2,5-6H2,(H2,14,15,16).
What are the key properties of 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide?
2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide has a molecular weight of 326.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 43342542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).