(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H23ClN4O4S — CID 4848277

IUPAC(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23ClN4O4S/c21-17-5-4-16(15-18(17)30(27,28)25-11-13-29-14-12-25)20(26)24-9-7-23(8-10-24)19-3-1-2-6-22-19/h1-6,15H,7-14H2
InChIKeyZIUMWNGYYPFGRF-UHFFFAOYSA-N
MW450.95 g/mol
LogP1.72
Rot. Bonds4

About (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 4848277) has the molecular formula C20H23ClN4O4S and a molecular weight of 450.95 g/mol. Its IUPAC name is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID4848277
Molecular FormulaC20H23ClN4O4S
Molecular Weight450.95 g/mol
Exact Mass450.11
IUPAC Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23ClN4O4S/c21-17-5-4-16(15-18(17)30(27,28)25-11-13-29-14-12-25)20(26)24-9-7-23(8-10-24)19-3-1-2-6-22-19/h1-6,15H,7-14H2
InChIKeyZIUMWNGYYPFGRF-UHFFFAOYSA-N
XLogP1.72
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 4848277) is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZIUMWNGYYPFGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4S/c21-17-5-4-16(15-18(17)30(27,28)25-11-13-29-14-12-25)20(26)24-9-7-23(8-10-24)19-3-1-2-6-22-19/h1-6,15H,7-14H2.
What are the key properties of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 450.95 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 4848277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).