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

C16H11Cl2N3O2S — CID 72547285

IUPAC3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2N3O2S/c17-13-5-14(18)7-16(6-13)24(22,23)21-15-3-1-11(2-4-15)12-8-19-10-20-9-12/h1-10,21H
InChIKeyNDSORUPSARDZBP-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.25
Rot. Bonds4

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

3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide (PubChem CID 72547285) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide
PubChem CID72547285
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2N3O2S/c17-13-5-14(18)7-16(6-13)24(22,23)21-15-3-1-11(2-4-15)12-8-19-10-20-9-12/h1-10,21H
InChIKeyNDSORUPSARDZBP-UHFFFAOYSA-N
XLogP4.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide (CID 72547285) is 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide?
The InChIKey is NDSORUPSARDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-13-5-14(18)7-16(6-13)24(22,23)21-15-3-1-11(2-4-15)12-8-19-10-20-9-12/h1-10,21H.
What are the key properties of 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide?
3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide has a molecular weight of 380.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 72547285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).