3-chloro-4-(4-cyanophenoxy)benzenesulfonamide

C13H9ClN2O3S — CID 61374077

IUPAC3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(N)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C13H9ClN2O3S/c14-12-7-11(20(16,17)18)5-6-13(12)19-10-3-1-9(8-15)2-4-10/h1-7H,(H2,16,17,18)
InChIKeyLUSHREBZJDRGPL-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.65
Rot. Bonds3

About 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide

3-chloro-4-(4-cyanophenoxy)benzenesulfonamide (PubChem CID 61374077) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
PubChem CID61374077
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC Name3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(N)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C13H9ClN2O3S/c14-12-7-11(20(16,17)18)5-6-13(12)19-10-3-1-9(8-15)2-4-10/h1-7H,(H2,16,17,18)
InChIKeyLUSHREBZJDRGPL-UHFFFAOYSA-N
XLogP2.65
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
3-chloro-4-(4-iodophenoxy)benzonitrile
CID 55221862
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
(2,4-dichlorophenyl) 4-cyanobenzenesulfonate
CID 2805763
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-chloro-4-(4-propylphenoxy)benzonitrile
CID 63513963
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
CID 135373937

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide (CID 61374077) is 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide is N#Cc1ccc(Oc2ccc(S(N)(=O)=O)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide?
The InChIKey is LUSHREBZJDRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-12-7-11(20(16,17)18)5-6-13(12)19-10-3-1-9(8-15)2-4-10/h1-7H,(H2,16,17,18).
What are the key properties of 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide?
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-cyanophenoxy)benzenesulfonamide is sourced from PubChem (CID 61374077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).