[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone

C15H19N5O4S2 — CID 119686787

IUPAC[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C15H19N5O4S2/c21-15(12-10-16-4-9-24-12)19-5-7-20(8-6-19)26(22,23)13-3-1-2-11-14(13)18-25-17-11/h1-3,12,16H,4-10H2
InChIKeySOBGSKGFWIQLCH-UHFFFAOYSA-N
MW397.48 g/mol
LogP-0.49
Rot. Bonds3

About [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone

[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119686787) has the molecular formula C15H19N5O4S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID119686787
Molecular FormulaC15H19N5O4S2
Molecular Weight397.48 g/mol
Exact Mass397.09
IUPAC Name[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C15H19N5O4S2/c21-15(12-10-16-4-9-24-12)19-5-7-20(8-6-19)26(22,23)13-3-1-2-11-14(13)18-25-17-11/h1-3,12,16H,4-10H2
InChIKeySOBGSKGFWIQLCH-UHFFFAOYSA-N
XLogP-0.49
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119678332
azepan-1-yl-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]methanone
CID 20853463
1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-cyclohexylideneethanone
CID 60573623
2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 29133699
(E)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42570659
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
CID 24559893
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide
CID 46673780
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-morpholin-2-ylmethanone
CID 119696011
2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-cyclopentyl-2-oxoacetamide
CID 29128175
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 34650532
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 96542131
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 94067915

Frequently Asked Questions

What is the IUPAC name of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone (CID 119686787) is [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is SOBGSKGFWIQLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S2/c21-15(12-10-16-4-9-24-12)19-5-7-20(8-6-19)26(22,23)13-3-1-2-11-14(13)18-25-17-11/h1-3,12,16H,4-10H2.
What are the key properties of [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 397.48 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119686787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).