[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C16H19N3O4S — CID 110805410

IUPAC[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C16H19N3O4S/c1-23-14-6-2-3-7-15(14)24(21,22)19-11-9-18(10-12-19)16(20)13-5-4-8-17-13/h2-8,17H,9-12H2,1H3
InChIKeyOPFWJJNXINUPBQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.17
Rot. Bonds4

About [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 110805410) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID110805410
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C16H19N3O4S/c1-23-14-6-2-3-7-15(14)24(21,22)19-11-9-18(10-12-19)16(20)13-5-4-8-17-13/h2-8,17H,9-12H2,1H3
InChIKeyOPFWJJNXINUPBQ-UHFFFAOYSA-N
XLogP1.17
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212660
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
[4-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110810478
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
1-[4-(2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797287
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811227
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815091

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 110805410) is [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is OPFWJJNXINUPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-14-6-2-3-7-15(14)24(21,22)19-11-9-18(10-12-19)16(20)13-5-4-8-17-13/h2-8,17H,9-12H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 349.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 110805410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).