N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide

C20H24N4O4S2 — CID 10114703

IUPACN,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)c1
InChIInChI=1S/C20H24N4O4S2/c1-22(2)29(25,26)16-5-3-6-17(15-16)30(27,28)24-12-9-18-19(7-4-8-20(18)24)23-13-10-21-11-14-23/h3-9,12,15,21H,10-11,13-14H2,1-2H3
InChIKeyXIOZCPJWEFUZHG-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.54
Rot. Bonds5

About N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide

N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide (PubChem CID 10114703) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide
PubChem CID10114703
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC NameN,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)c1
InChIInChI=1S/C20H24N4O4S2/c1-22(2)29(25,26)16-5-3-6-17(15-16)30(27,28)24-12-9-18-19(7-4-8-20(18)24)23-13-10-21-11-14-23/h3-9,12,15,21H,10-11,13-14H2,1-2H3
InChIKeyXIOZCPJWEFUZHG-UHFFFAOYSA-N
XLogP1.54
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide (CID 10114703) is N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)c1.
What is the InChIKey of N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is XIOZCPJWEFUZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-22(2)29(25,26)16-5-3-6-17(15-16)30(27,28)24-12-9-18-19(7-4-8-20(18)24)23-13-10-21-11-14-23/h3-9,12,15,21H,10-11,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide?
N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 448.57 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 10114703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).