3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide

C11H13Cl2NO3S — CID 110726881

IUPAC3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO3S/c12-10-2-1-9(7-11(10)13)18(15,16)14-8-3-5-17-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyBDPKBZIIXQBKNX-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.45
Rot. Bonds3

About 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide

3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 110726881) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
PubChem CID110726881
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO3S/c12-10-2-1-9(7-11(10)13)18(15,16)14-8-3-5-17-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyBDPKBZIIXQBKNX-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
5-chloro-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607304
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665
4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide
CID 141068088
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182
4-bromo-3-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 90100934
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
2-(methylamino)-N-(oxan-4-yl)pyridine-4-sulfonamide
CID 62147724

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide (CID 110726881) is 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide is O=S(=O)(NC1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is BDPKBZIIXQBKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c12-10-2-1-9(7-11(10)13)18(15,16)14-8-3-5-17-6-4-8/h1-2,7-8,14H,3-6H2.
What are the key properties of 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide?
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 310.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 110726881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).