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

C15H22ClN3O4S — CID 119402696

IUPAC(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C15H21N3O4S.ClH/c19-15(17-7-5-16-6-8-17)13-3-1-2-4-14(13)23(20,21)18-9-11-22-12-10-18;/h1-4,16H,5-12H2;1H
InChIKeyPTWNUAJIBOTNDC-UHFFFAOYSA-N
MW375.88 g/mol
LogP0.17
Rot. Bonds3

About (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride

(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119402696) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119402696
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C15H21N3O4S.ClH/c19-15(17-7-5-16-6-8-17)13-3-1-2-4-14(13)23(20,21)18-9-11-22-12-10-18;/h1-4,16H,5-12H2;1H
InChIKeyPTWNUAJIBOTNDC-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

1,4-diazepan-1-yl-(2-morpholin-4-ylsulfonylphenyl)methanone
CID 119417300
piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119403179
4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 55622621
3-fluoro-1-(2-morpholin-4-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119258727
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
2-morpholin-4-ylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427667
2-morpholin-4-ylsulfonylphenol
CID 79020270
N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400127
N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide
CID 39878344
2-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 155339937

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119402696) is (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCNCC1.
What is the InChIKey of (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is PTWNUAJIBOTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S.ClH/c19-15(17-7-5-16-6-8-17)13-3-1-2-4-14(13)23(20,21)18-9-11-22-12-10-18;/h1-4,16H,5-12H2;1H.
What are the key properties of (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride?
(2-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 (2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119402696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).