3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide

C22H26N4O2S — CID 23627030

IUPAC3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide
SMILESCCCCN(CCCC)c1c(C#N)cc(S(=O)(=O)Nc2ccccc2)cc1C#N
InChIInChI=1S/C22H26N4O2S/c1-3-5-12-26(13-6-4-2)22-18(16-23)14-21(15-19(22)17-24)29(27,28)25-20-10-8-7-9-11-20/h7-11,14-15,25H,3-6,12-13H2,1-2H3
InChIKeyRBSANZKTNQQZIF-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.64
Rot. Bonds10

About 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide

3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide (PubChem CID 23627030) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide
PubChem CID23627030
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide
SMILESCCCCN(CCCC)c1c(C#N)cc(S(=O)(=O)Nc2ccccc2)cc1C#N
InChIInChI=1S/C22H26N4O2S/c1-3-5-12-26(13-6-4-2)22-18(16-23)14-21(15-19(22)17-24)29(27,28)25-20-10-8-7-9-11-20/h7-11,14-15,25H,3-6,12-13H2,1-2H3
InChIKeyRBSANZKTNQQZIF-UHFFFAOYSA-N
XLogP4.64
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide?
The IUPAC name of 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide (CID 23627030) is 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide is CCCCN(CCCC)c1c(C#N)cc(S(=O)(=O)Nc2ccccc2)cc1C#N.
What is the InChIKey of 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide?
The InChIKey is RBSANZKTNQQZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-5-12-26(13-6-4-2)22-18(16-23)14-21(15-19(22)17-24)29(27,28)25-20-10-8-7-9-11-20/h7-11,14-15,25H,3-6,12-13H2,1-2H3.
What are the key properties of 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide?
3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 23627030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).