7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one

C26H31N3O3S — CID 20946148

IUPAC7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1)CCCC3=O
InChIInChI=1S/C26H31N3O3S/c1-4-19-15-20-22(27-21-6-5-7-24(30)26(20)21)16-25(19)33(31,32)29-12-10-28(11-13-29)23-14-17(2)8-9-18(23)3/h8-9,14-16,27H,4-7,10-13H2,1-3H3
InChIKeyJWCOTOGWQLIDHA-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.38
Rot. Bonds4

About 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one

7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 20946148) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID20946148
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1)CCCC3=O
InChIInChI=1S/C26H31N3O3S/c1-4-19-15-20-22(27-21-6-5-7-24(30)26(20)21)16-25(19)33(31,32)29-12-10-28(11-13-29)23-14-17(2)8-9-18(23)3/h8-9,14-16,27H,4-7,10-13H2,1-3H3
InChIKeyJWCOTOGWQLIDHA-UHFFFAOYSA-N
XLogP4.38
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one with MolForge

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Related Compounds

7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20946133
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20945923
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946129
3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946230
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945982
1-(2-ethyl-4-methylphenyl)sulfonylaziridine
CID 175060247
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
2-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-pyrrolidin-1-ylethanone
CID 53067924

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one (CID 20946148) is 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one is CCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1)CCCC3=O.
What is the InChIKey of 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is JWCOTOGWQLIDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-4-19-15-20-22(27-21-6-5-7-24(30)26(20)21)16-25(19)33(31,32)29-12-10-28(11-13-29)23-14-17(2)8-9-18(23)3/h8-9,14-16,27H,4-7,10-13H2,1-3H3.
What are the key properties of 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 465.62 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 20946148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).