3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide

C17H12Cl2N2O2S — CID 72547283

IUPAC3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccncc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2S/c18-14-9-15(19)11-17(10-14)24(22,23)21-16-3-1-12(2-4-16)13-5-7-20-8-6-13/h1-11,21H
InChIKeyBZUSMKVXJJRSBP-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.86
Rot. Bonds4

About 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide

3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide (PubChem CID 72547283) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide
PubChem CID72547283
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccncc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2S/c18-14-9-15(19)11-17(10-14)24(22,23)21-16-3-1-12(2-4-16)13-5-7-20-8-6-13/h1-11,21H
InChIKeyBZUSMKVXJJRSBP-UHFFFAOYSA-N
XLogP4.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide (CID 72547283) is 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccncc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
The InChIKey is BZUSMKVXJJRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c18-14-9-15(19)11-17(10-14)24(22,23)21-16-3-1-12(2-4-16)13-5-7-20-8-6-13/h1-11,21H.
What are the key properties of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide has a molecular weight of 379.27 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 72547283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).