1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C21H22ClN3O3S — CID 26757113

IUPAC1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H22ClN3O3S/c22-18-6-2-4-8-20(18)29(27,28)25-13-11-24(12-14-25)21(26)10-9-16-15-23-19-7-3-1-5-17(16)19/h1-8,15,23H,9-14H2
InChIKeyPUSZXZAMTXRHQY-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.29
Rot. Bonds5

About 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 26757113) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID26757113
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H22ClN3O3S/c22-18-6-2-4-8-20(18)29(27,28)25-13-11-24(12-14-25)21(26)10-9-16-15-23-19-7-3-1-5-17(16)19/h1-8,15,23H,9-14H2
InChIKeyPUSZXZAMTXRHQY-UHFFFAOYSA-N
XLogP3.29
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 26419309
3-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 26868373
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 55751738
3-(1H-indol-3-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 17424227
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 7661831
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 26419222
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 9429456
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 26868103
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 17426212
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29136158

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 26757113) is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is PUSZXZAMTXRHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c22-18-6-2-4-8-20(18)29(27,28)25-13-11-24(12-14-25)21(26)10-9-16-15-23-19-7-3-1-5-17(16)19/h1-8,15,23H,9-14H2.
What are the key properties of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 431.95 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 26757113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).