1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

C18H18ClN3O2S — CID 10270854

IUPAC1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H18ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-7,10,13,20H,8-9,11-12H2
InChIKeyIWFWMNHBEFSLTE-UHFFFAOYSA-N
MW375.88 g/mol
LogP2.94
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (PubChem CID 10270854) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
PubChem CID10270854
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H18ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-7,10,13,20H,8-9,11-12H2
InChIKeyIWFWMNHBEFSLTE-UHFFFAOYSA-N
XLogP2.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
CID 90469114
5-Chloro-1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 9822810
1-(4-Chloro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9842551
4-(4-Methyl-1-piperazinyl)-1-(phenylsulfonyl)-1H-indole
CID 10108884
3-(3-chlorophenyl)sulfonyl-7-piperazin-1-yl-1H-indole
CID 10134086
5-Chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10201610
4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 11739679
7-Chloro-1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 17978373

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (CID 10270854) is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The InChIKey is IWFWMNHBEFSLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-7,10,13,20H,8-9,11-12H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole has a molecular weight of 375.88 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 10270854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).