4-(2-cyanophenyl)benzenesulfonamide

C13H10N2O2S — CID 102354115

IUPAC4-(2-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H10N2O2S/c14-9-11-3-1-2-4-13(11)10-5-7-12(8-6-10)18(15,16)17/h1-8H,(H2,15,16,17)
InChIKeyPANAOSAVGXXNLC-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.87
Rot. Bonds2

About 4-(2-cyanophenyl)benzenesulfonamide

4-(2-cyanophenyl)benzenesulfonamide (PubChem CID 102354115) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(2-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)benzenesulfonamide
PubChem CID102354115
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name4-(2-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H10N2O2S/c14-9-11-3-1-2-4-13(11)10-5-7-12(8-6-10)18(15,16)17/h1-8H,(H2,15,16,17)
InChIKeyPANAOSAVGXXNLC-UHFFFAOYSA-N
XLogP1.87
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyanophenyl)benzenesulfonamide (CID 102354115) is 4-(2-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyanophenyl)benzenesulfonamide is N#Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-cyanophenyl)benzenesulfonamide?
The InChIKey is PANAOSAVGXXNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c14-9-11-3-1-2-4-13(11)10-5-7-12(8-6-10)18(15,16)17/h1-8H,(H2,15,16,17).
What are the key properties of 4-(2-cyanophenyl)benzenesulfonamide?
4-(2-cyanophenyl)benzenesulfonamide has a molecular weight of 258.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 102354115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).