[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

C23H25N3O3S — CID 27509510

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S/c27-23(17-10-11-22-20(16-17)19-8-4-5-9-21(19)24-22)25-12-14-26(15-13-25)30(28,29)18-6-2-1-3-7-18/h1-3,6-7,10-11,16,24H,4-5,8-9,12-15H2
InChIKeyVWNOAMFXBBTVFV-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.19
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone (PubChem CID 27509510) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
PubChem CID27509510
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S/c27-23(17-10-11-22-20(16-17)19-8-4-5-9-21(19)24-22)25-12-14-26(15-13-25)30(28,29)18-6-2-1-3-7-18/h1-3,6-7,10-11,16,24H,4-5,8-9,12-15H2
InChIKeyVWNOAMFXBBTVFV-UHFFFAOYSA-N
XLogP3.19
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 25398074
6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 22017564
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butane-1,4-dione
CID 30858190
methyl 2-(3-piperidin-1-ylsulfonylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757287
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
[4-(benzenesulfonyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347167
[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 41247140
N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 102603763
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
[4-(benzenesulfonyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 110805144
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone (CID 27509510) is [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone is O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The InChIKey is VWNOAMFXBBTVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23(17-10-11-22-20(16-17)19-8-4-5-9-21(19)24-22)25-12-14-26(15-13-25)30(28,29)18-6-2-1-3-7-18/h1-3,6-7,10-11,16,24H,4-5,8-9,12-15H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone has a molecular weight of 423.54 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone is sourced from PubChem (CID 27509510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).