[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone

C19H17Cl2N3O3S — CID 36723786

IUPAC[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2N3O3S/c20-15-6-5-14(12-16(15)21)28(26,27)24-9-7-23(8-10-24)19(25)18-11-13-3-1-2-4-17(13)22-18/h1-6,11-12,22H,7-10H2
InChIKeyOJQHWZRTQIRJCR-UHFFFAOYSA-N
MW438.34 g/mol
LogP3.62
Rot. Bonds3

About [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 36723786) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID36723786
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2N3O3S/c20-15-6-5-14(12-16(15)21)28(26,27)24-9-7-23(8-10-24)19(25)18-11-13-3-1-2-4-17(13)22-18/h1-6,11-12,22H,7-10H2
InChIKeyOJQHWZRTQIRJCR-UHFFFAOYSA-N
XLogP3.62
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9188693
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
1H-indol-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326892
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9326935
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 33154435
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 97417199
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 46445914
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone (CID 36723786) is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is OJQHWZRTQIRJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c20-15-6-5-14(12-16(15)21)28(26,27)24-9-7-23(8-10-24)19(25)18-11-13-3-1-2-4-17(13)22-18/h1-6,11-12,22H,7-10H2.
What are the key properties of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 438.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 36723786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).