2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide

C20H19Cl2F2N3O2S — CID 175760531

IUPAC2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)C2CCNCC2)cc1-c1ccc(Cl)c2c(Cl)c[nH]c12
InChIInChI=1S/C20H19Cl2F2N3O2S/c21-15-3-2-13(19-18(15)16(22)10-27-19)14-9-12(1-4-17(14)30(25,28)29)20(23,24)11-5-7-26-8-6-11/h1-4,9-11,26-27H,5-8H2,(H2,25,28,29)
InChIKeyXCHXATWIOMBDPE-UHFFFAOYSA-N
MW474.36 g/mol
LogP4.88
Rot. Bonds4

About 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide

2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 175760531) has the molecular formula C20H19Cl2F2N3O2S and a molecular weight of 474.36 g/mol. Its IUPAC name is 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide
PubChem CID175760531
Molecular FormulaC20H19Cl2F2N3O2S
Molecular Weight474.36 g/mol
Exact Mass473.05
IUPAC Name2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)C2CCNCC2)cc1-c1ccc(Cl)c2c(Cl)c[nH]c12
InChIInChI=1S/C20H19Cl2F2N3O2S/c21-15-3-2-13(19-18(15)16(22)10-27-19)14-9-12(1-4-17(14)30(25,28)29)20(23,24)11-5-7-26-8-6-11/h1-4,9-11,26-27H,5-8H2,(H2,25,28,29)
InChIKeyXCHXATWIOMBDPE-UHFFFAOYSA-N
XLogP4.88
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide (CID 175760531) is 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(F)(F)C2CCNCC2)cc1-c1ccc(Cl)c2c(Cl)c[nH]c12.
What is the InChIKey of 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is XCHXATWIOMBDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F2N3O2S/c21-15-3-2-13(19-18(15)16(22)10-27-19)14-9-12(1-4-17(14)30(25,28)29)20(23,24)11-5-7-26-8-6-11/h1-4,9-11,26-27H,5-8H2,(H2,25,28,29).
What are the key properties of 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide?
2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 474.36 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 175760531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).