2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide

C15H16Cl2N4O3S — CID 91967427

IUPAC2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N4O3S/c16-11-1-2-13(17)14(9-11)25(22,23)19-10-12-3-4-18-15(20-12)21-5-7-24-8-6-21/h1-4,9,19H,5-8,10H2
InChIKeyZQBVRRQLDCSGSO-UHFFFAOYSA-N
MW403.29 g/mol
LogP2.10
Rot. Bonds5

About 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide

2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 91967427) has the molecular formula C15H16Cl2N4O3S and a molecular weight of 403.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID91967427
Molecular FormulaC15H16Cl2N4O3S
Molecular Weight403.29 g/mol
Exact Mass402.03
IUPAC Name2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N4O3S/c16-11-1-2-13(17)14(9-11)25(22,23)19-10-12-3-4-18-15(20-12)21-5-7-24-8-6-21/h1-4,9,19H,5-8,10H2
InChIKeyZQBVRRQLDCSGSO-UHFFFAOYSA-N
XLogP2.10
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 91967427) is 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZQBVRRQLDCSGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3S/c16-11-1-2-13(17)14(9-11)25(22,23)19-10-12-3-4-18-15(20-12)21-5-7-24-8-6-21/h1-4,9,19H,5-8,10H2.
What are the key properties of 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 403.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91967427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).