4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide

C20H17N3O3S — CID 70955517

IUPAC4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CCO)n3)cc2)cc1
InChIInChI=1S/C20H17N3O3S/c21-14-15-4-6-16(7-5-15)17-8-10-19(11-9-17)27(25,26)23-20-3-1-2-18(22-20)12-13-24/h1-11,24H,12-13H2,(H,22,23)
InChIKeyDXTJRDMZJMSNCP-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.96
Rot. Bonds6

About 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide

4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 70955517) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID70955517
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CCO)n3)cc2)cc1
InChIInChI=1S/C20H17N3O3S/c21-14-15-4-6-16(7-5-15)17-8-10-19(11-9-17)27(25,26)23-20-3-1-2-18(22-20)12-13-24/h1-11,24H,12-13H2,(H,22,23)
InChIKeyDXTJRDMZJMSNCP-UHFFFAOYSA-N
XLogP2.96
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide (CID 70955517) is 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide is N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CCO)n3)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is DXTJRDMZJMSNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c21-14-15-4-6-16(7-5-15)17-8-10-19(11-9-17)27(25,26)23-20-3-1-2-18(22-20)12-13-24/h1-11,24H,12-13H2,(H,22,23).
What are the key properties of 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide?
4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-[6-(2-hydroxyethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70955517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).