3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide

C11H11ClN2O3S — CID 112703665

IUPAC3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCOC2)cc1Cl
InChIInChI=1S/C11H11ClN2O3S/c12-11-5-10(2-1-8(11)6-13)18(15,16)14-9-3-4-17-7-9/h1-2,5,9,14H,3-4,7H2
InChIKeyARLNGGOBYACHRP-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.28
Rot. Bonds3

About 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide

3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 112703665) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID112703665
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCOC2)cc1Cl
InChIInChI=1S/C11H11ClN2O3S/c12-11-5-10(2-1-8(11)6-13)18(15,16)14-9-3-4-17-7-9/h1-2,5,9,14H,3-4,7H2
InChIKeyARLNGGOBYACHRP-UHFFFAOYSA-N
XLogP1.28
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide (CID 112703665) is 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCOC2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is ARLNGGOBYACHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-11-5-10(2-1-8(11)6-13)18(15,16)14-9-3-4-17-7-9/h1-2,5,9,14H,3-4,7H2.
What are the key properties of 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide?
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 112703665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).