N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide

C20H18N2O4S — CID 71320253

IUPACN-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccnc(C3OCCO3)c2)c1)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c23-27(24,18-7-2-1-3-8-18)22-17-6-4-5-15(13-17)16-9-10-21-19(14-16)20-25-11-12-26-20/h1-10,13-14,20,22H,11-12H2
InChIKeyVMKQIWRRPWQODQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.59
Rot. Bonds5

About N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide

N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide (PubChem CID 71320253) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide
PubChem CID71320253
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccnc(C3OCCO3)c2)c1)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c23-27(24,18-7-2-1-3-8-18)22-17-6-4-5-15(13-17)16-9-10-21-19(14-16)20-25-11-12-26-20/h1-10,13-14,20,22H,11-12H2
InChIKeyVMKQIWRRPWQODQ-UHFFFAOYSA-N
XLogP3.59
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide (CID 71320253) is N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2ccnc(C3OCCO3)c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide?
The InChIKey is VMKQIWRRPWQODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-27(24,18-7-2-1-3-8-18)22-17-6-4-5-15(13-17)16-9-10-21-19(14-16)20-25-11-12-26-20/h1-10,13-14,20,22H,11-12H2.
What are the key properties of N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide?
N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide has a molecular weight of 382.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 71320253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).