(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride

C15H22ClN3O4S — CID 119402219

IUPAC(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCNCC1
InChIInChI=1S/C15H21N3O4S.ClH/c19-15(17-6-4-16-5-7-17)13-2-1-3-14(12-13)23(20,21)18-8-10-22-11-9-18;/h1-3,12,16H,4-11H2;1H
InChIKeyMYDJTGAJZZEWRX-UHFFFAOYSA-N
MW375.88 g/mol
LogP0.17
Rot. Bonds3

About (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride

(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119402219) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119402219
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCNCC1
InChIInChI=1S/C15H21N3O4S.ClH/c19-15(17-6-4-16-5-7-17)13-2-1-3-14(12-13)23(20,21)18-8-10-22-11-9-18;/h1-3,12,16H,4-11H2;1H
InChIKeyMYDJTGAJZZEWRX-UHFFFAOYSA-N
XLogP0.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[3-(1,4-oxazepan-4-ylsulfonyl)phenyl]-thiomorpholin-4-ylmethanone
CID 72916871
(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 119472047
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
[4-(ethylaminomethyl)piperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 119646595
3-piperazin-1-ylsulfonylbenzoic acid
CID 18801880
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 9295928
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119402219) is (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCNCC1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is MYDJTGAJZZEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S.ClH/c19-15(17-6-4-16-5-7-17)13-2-1-3-14(12-13)23(20,21)18-8-10-22-11-9-18;/h1-3,12,16H,4-11H2;1H.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119402219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).