3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole

C20H21ClFN3O2S — CID 25024727

IUPAC3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyDLIQQIYDZNPGLQ-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.42
Rot. Bonds4

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

3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole (PubChem CID 25024727) has the molecular formula C20H21ClFN3O2S and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID25024727
Molecular FormulaC20H21ClFN3O2S
Molecular Weight421.93 g/mol
Exact Mass421.10
IUPAC Name3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyDLIQQIYDZNPGLQ-UHFFFAOYSA-N
XLogP3.42
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole (CID 25024727) is 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole is CN1CCN(Cc2ccc3c(c2)c(Cl)cn3S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
The InChIKey is DLIQQIYDZNPGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole?
3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole has a molecular weight of 421.93 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-fluorophenyl)sulfonyl-5-[(4-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 25024727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).