7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one

C23H24ClN3O3S — CID 20945923

IUPAC7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)CCCC3=O
InChIInChI=1S/C23H24ClN3O3S/c1-15-12-18-20(25-19-6-3-7-21(28)23(18)19)14-22(15)31(29,30)27-10-8-26(9-11-27)17-5-2-4-16(24)13-17/h2,4-5,12-14,25H,3,6-11H2,1H3
InChIKeyIDWYQTUHSLYVPL-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.16
Rot. Bonds3

About 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one

7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 20945923) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID20945923
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)CCCC3=O
InChIInChI=1S/C23H24ClN3O3S/c1-15-12-18-20(25-19-6-3-7-21(28)23(18)19)14-22(15)31(29,30)27-10-8-26(9-11-27)17-5-2-4-16(24)13-17/h2,4-5,12-14,25H,3,6-11H2,1H3
InChIKeyIDWYQTUHSLYVPL-UHFFFAOYSA-N
XLogP4.16
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20946148
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,5-dimethylphenyl]thiazinane 1,1-dioxide
CID 39776177
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 22548354
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
CID 20945797
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945982
5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 53092063
7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 20945775
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one (CID 20945923) is 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one is Cc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)CCCC3=O.
What is the InChIKey of 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is IDWYQTUHSLYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-15-12-18-20(25-19-6-3-7-21(28)23(18)19)14-22(15)31(29,30)27-10-8-26(9-11-27)17-5-2-4-16(24)13-17/h2,4-5,12-14,25H,3,6-11H2,1H3.
What are the key properties of 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 457.98 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 20945923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).