[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C17H19N3O4S — CID 55559458

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H19N3O4S/c1-24-16-15(8-5-9-18-16)17(21)19-10-12-20(13-11-19)25(22,23)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRTLRGDJBKWLVMV-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.24
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 55559458) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID55559458
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H19N3O4S/c1-24-16-15(8-5-9-18-16)17(21)19-10-12-20(13-11-19)25(22,23)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRTLRGDJBKWLVMV-UHFFFAOYSA-N
XLogP1.24
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 27509864
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 55559458) is [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is RTLRGDJBKWLVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-16-15(8-5-9-18-16)17(21)19-10-12-20(13-11-19)25(22,23)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 361.42 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 55559458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).