N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide

C16H11Cl2N3O2S — CID 71292547

IUPACN-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1)c1ccccc1
InChIInChI=1S/C16H11Cl2N3O2S/c17-13-7-6-11(8-14(13)18)15-9-16(20-10-19-15)21-24(22,23)12-4-2-1-3-5-12/h1-10H,(H,19,20,21)
InChIKeyAYEXGLOHSIPFQZ-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.25
Rot. Bonds4

About N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide

N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 71292547) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID71292547
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC NameN-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1)c1ccccc1
InChIInChI=1S/C16H11Cl2N3O2S/c17-13-7-6-11(8-14(13)18)15-9-16(20-10-19-15)21-24(22,23)12-4-2-1-3-5-12/h1-10H,(H,19,20,21)
InChIKeyAYEXGLOHSIPFQZ-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 N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide (CID 71292547) is N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1)c1ccccc1.
What is the InChIKey of N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is AYEXGLOHSIPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-13-7-6-11(8-14(13)18)15-9-16(20-10-19-15)21-24(22,23)12-4-2-1-3-5-12/h1-10H,(H,19,20,21).
What are the key properties of N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide?
N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]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 N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 71292547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).