[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

C22H23N3O3S — CID 24981896

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1
InChIInChI=1S/C22H23N3O3S/c1-18-7-9-21(10-8-18)29(27,28)25-15-13-24(14-16-25)22(26)19-5-4-6-20(17-19)23-11-2-3-12-23/h2-12,17H,13-16H2,1H3
InChIKeyWQDCGCIDKVUXDE-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.93
Rot. Bonds4

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 24981896) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
PubChem CID24981896
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1
InChIInChI=1S/C22H23N3O3S/c1-18-7-9-21(10-8-18)29(27,28)25-15-13-24(14-16-25)22(26)19-5-4-6-20(17-19)23-11-2-3-12-23/h2-12,17H,13-16H2,1H3
InChIKeyWQDCGCIDKVUXDE-UHFFFAOYSA-N
XLogP2.93
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
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Stf-31
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(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
Cnv-2197944
CID 44595848
Piperazine moiety, 6
CID 57339813
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (CID 24981896) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is WQDCGCIDKVUXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-18-7-9-21(10-8-18)29(27,28)25-15-13-24(14-16-25)22(26)19-5-4-6-20(17-19)23-11-2-3-12-23/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 409.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 24981896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).