[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

C21H22ClN3O3S2 — CID 46581850

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C21H22ClN3O3S2/c22-18-8-9-19(29-18)30(27,28)25-12-10-24(11-13-25)21(26)16-6-3-5-15-14-4-1-2-7-17(14)23-20(15)16/h3,5-6,8-9,23H,1-2,4,7,10-13H2
InChIKeyYEHHYKMBRGTYNK-UHFFFAOYSA-N
MW464.01 g/mol
LogP3.91
Rot. Bonds3

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone (PubChem CID 46581850) has the molecular formula C21H22ClN3O3S2 and a molecular weight of 464.01 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
PubChem CID46581850
Molecular FormulaC21H22ClN3O3S2
Molecular Weight464.01 g/mol
Exact Mass463.08
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C21H22ClN3O3S2/c22-18-8-9-19(29-18)30(27,28)25-12-10-24(11-13-25)21(26)16-6-3-5-15-14-4-1-2-7-17(14)23-20(15)16/h3,5-6,8-9,23H,1-2,4,7,10-13H2
InChIKeyYEHHYKMBRGTYNK-UHFFFAOYSA-N
XLogP3.91
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 37253115
[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 31137344
(2-anilinophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768627
[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 46581675
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258
(2-chloro-5-methylsulfanylphenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768652
4-[4-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720896
2-(5-chlorothiophen-2-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3862867
N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 46564070

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone (CID 46581850) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone is O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The InChIKey is YEHHYKMBRGTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S2/c22-18-8-9-19(29-18)30(27,28)25-12-10-24(11-13-25)21(26)16-6-3-5-15-14-4-1-2-7-17(14)23-20(15)16/h3,5-6,8-9,23H,1-2,4,7,10-13H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone has a molecular weight of 464.01 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone is sourced from PubChem (CID 46581850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).