1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one

C24H30ClN3O3S — CID 53105658

IUPAC1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C24H30ClN3O3S/c1-17(2)23(29)28-16-24(3,4)21-15-20(8-9-22(21)28)32(30,31)27-12-10-26(11-13-27)19-7-5-6-18(25)14-19/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyFTNMNUFQOOUSDU-UHFFFAOYSA-N
MW476.04 g/mol
LogP4.13
Rot. Bonds4

About 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one

1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one (PubChem CID 53105658) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one
PubChem CID53105658
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC Name1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C24H30ClN3O3S/c1-17(2)23(29)28-16-24(3,4)21-15-20(8-9-22(21)28)32(30,31)27-12-10-26(11-13-27)19-7-5-6-18(25)14-19/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyFTNMNUFQOOUSDU-UHFFFAOYSA-N
XLogP4.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.04
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one
CID 53105659
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-methyl-2,3-dihydroindole-1-carboxamide
CID 143931035
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
(4-chlorophenyl)-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 44624666
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 44624183
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylphenyl]acetic acid
CID 11682958
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262
4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 44599035
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 44624249
ethyl 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 58078399

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one (CID 53105658) is 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one?
The InChIKey is FTNMNUFQOOUSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c1-17(2)23(29)28-16-24(3,4)21-15-20(8-9-22(21)28)32(30,31)27-12-10-26(11-13-27)19-7-5-6-18(25)14-19/h5-9,14-15,17H,10-13,16H2,1-4H3.
What are the key properties of 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one?
1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one has a molecular weight of 476.04 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 53105658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).