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

C20H24N4O4S — CID 1297543

IUPAC(4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O4S/c25-20(23-11-9-22(10-12-23)19-3-1-2-8-21-19)17-4-6-18(7-5-17)29(26,27)24-13-15-28-16-14-24/h1-8H,9-16H2
InChIKeyFYQQXRVQVPFVEC-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.06
Rot. Bonds4

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

(4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1297543) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1297543
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name(4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O4S/c25-20(23-11-9-22(10-12-23)19-3-1-2-8-21-19)17-4-6-18(7-5-17)29(26,27)24-13-15-28-16-14-24/h1-8H,9-16H2
InChIKeyFYQQXRVQVPFVEC-UHFFFAOYSA-N
XLogP1.06
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
N-(6-methylpyridin-2-yl)-4-(morpholinosulfonyl)benzamide
CID 1356345
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 162644356
4,N-Dimethyl-N-[4-oxo-4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-benzenesulfonamide
CID 651679
4-(1-piperidinylsulfonyl)-N-(2-pyridinyl)benzamide
CID 862032
N-(4-methylpyridin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 1087730
4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide
CID 1357171
4-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1454712
3-(4-morpholinylsulfonyl)-N-phenyl-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide
CID 2953969
6-(morpholin-4-ylsulfonyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinolin-4(1H)-one
CID 3237301
4-methyl-N-{4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]benzyl}benzenesulfonamide
CID 3243910

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1297543) is (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FYQQXRVQVPFVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c25-20(23-11-9-22(10-12-23)19-3-1-2-8-21-19)17-4-6-18(7-5-17)29(26,27)24-13-15-28-16-14-24/h1-8H,9-16H2.
What are the key properties of (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 416.50 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1297543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).