N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide

C16H19ClN4O3S — CID 87606434

IUPACN-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H19ClN4O3S/c1-2-25(22,23)20-13-5-3-12(4-6-13)14-11-15(17)19-16(18-14)21-7-9-24-10-8-21/h3-6,11,20H,2,7-10H2,1H3
InChIKeyCAYCHRNRVXOSFR-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.40
Rot. Bonds5

About N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide

N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide (PubChem CID 87606434) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide
PubChem CID87606434
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H19ClN4O3S/c1-2-25(22,23)20-13-5-3-12(4-6-13)14-11-15(17)19-16(18-14)21-7-9-24-10-8-21/h3-6,11,20H,2,7-10H2,1H3
InChIKeyCAYCHRNRVXOSFR-UHFFFAOYSA-N
XLogP2.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide (CID 87606434) is N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide?
The InChIKey is CAYCHRNRVXOSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-2-25(22,23)20-13-5-3-12(4-6-13)14-11-15(17)19-16(18-14)21-7-9-24-10-8-21/h3-6,11,20H,2,7-10H2,1H3.
What are the key properties of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide?
N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 87606434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).