1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine

C15H19N3O3S — CID 69279450

IUPAC1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)n2ccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C15H19N3O3S/c1-21-14-2-4-15(5-3-14)22(19,20)18-9-6-13(12-18)17-10-7-16-8-11-17/h2-6,9,12,16H,7-8,10-11H2,1H3
InChIKeyJVHJXHDGMSOFTH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.14
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine

1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine (PubChem CID 69279450) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine
PubChem CID69279450
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)n2ccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C15H19N3O3S/c1-21-14-2-4-15(5-3-14)22(19,20)18-9-6-13(12-18)17-10-7-16-8-11-17/h2-6,9,12,16H,7-8,10-11H2,1H3
InChIKeyJVHJXHDGMSOFTH-UHFFFAOYSA-N
XLogP1.14
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole
CID 59781304
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963371
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
3-(difluoromethyl)-1-(4-methoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 118654355
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine
CID 18545431

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine?
The IUPAC name of 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine (CID 69279450) is 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine is COc1ccc(S(=O)(=O)n2ccc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine?
The InChIKey is JVHJXHDGMSOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-21-14-2-4-15(5-3-14)22(19,20)18-9-6-13(12-18)17-10-7-16-8-11-17/h2-6,9,12,16H,7-8,10-11H2,1H3.
What are the key properties of 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine?
1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine has a molecular weight of 321.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine is sourced from PubChem (CID 69279450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).