1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole

C18H17ClFN3O2S — CID 10271920

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H17ClFN3O2S/c19-15-12-13(4-5-16(15)20)26(24,25)23-9-6-14-17(2-1-3-18(14)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
InChIKeyKSHBYWSCYYNWNQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.08
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole

1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole (PubChem CID 10271920) has the molecular formula C18H17ClFN3O2S and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
PubChem CID10271920
Molecular FormulaC18H17ClFN3O2S
Molecular Weight393.87 g/mol
Exact Mass393.07
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H17ClFN3O2S/c19-15-12-13(4-5-16(15)20)26(24,25)23-9-6-14-17(2-1-3-18(14)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
InChIKeyKSHBYWSCYYNWNQ-UHFFFAOYSA-N
XLogP3.08
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10158464
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
1-(4-nitrophenyl)sulfonyl-4-piperazin-1-ylindole;hydrochloride
CID 10137084
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 10161068
formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 157455881
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10155466
1-[3-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 25118559
1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 141089036
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole (CID 10271920) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1ccc(F)c(Cl)c1)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole?
The InChIKey is KSHBYWSCYYNWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2S/c19-15-12-13(4-5-16(15)20)26(24,25)23-9-6-14-17(2-1-3-18(14)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole has a molecular weight of 393.87 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 10271920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).