4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline

C18H20N4O2S — CID 11566597

IUPAC4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)cc1
InChIInChI=1S/C18H20N4O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13,19H2
InChIKeyNKFYXDRKCCFGCZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.87
Rot. Bonds3

About 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline

4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline (PubChem CID 11566597) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline
PubChem CID11566597
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)cc1
InChIInChI=1S/C18H20N4O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13,19H2
InChIKeyNKFYXDRKCCFGCZ-UHFFFAOYSA-N
XLogP1.87
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-(Phenylsulfonyl)-1H-indole
CID 315017
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
4-(4-Benzyl-piperazin-1-yl)-1H-indole
CID 2728532
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
4-Amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide
CID 6918531
3-(phenylsulfonyl)-1-(pyrrolidin-3-yl)-1H-indole
CID 9840311
2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine
CID 10017687

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline?
The IUPAC name of 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline (CID 11566597) is 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline?
The canonical SMILES for 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)cc1.
What is the InChIKey of 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline?
The InChIKey is NKFYXDRKCCFGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13,19H2.
What are the key properties of 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline?
4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline has a molecular weight of 356.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperazin-1-ylindol-1-yl)sulfonylaniline is sourced from PubChem (CID 11566597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).