3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole

C20H20ClF2N3O2S — CID 25024729

IUPAC3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyFFGRNMSRPPNLMS-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.56
Rot. Bonds4

About 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole

3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole (PubChem CID 25024729) has the molecular formula C20H20ClF2N3O2S and a molecular weight of 439.92 g/mol. Its IUPAC name is 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID25024729
Molecular FormulaC20H20ClF2N3O2S
Molecular Weight439.92 g/mol
Exact Mass439.09
IUPAC Name3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyFFGRNMSRPPNLMS-UHFFFAOYSA-N
XLogP3.56
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole 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 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole (CID 25024729) is 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole is CN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
The InChIKey is FFGRNMSRPPNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole has a molecular weight of 439.92 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,4-difluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 25024729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).