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

C20H22FN3O2S — CID 24965682

IUPAC1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3O2S/c1-22-10-12-23(13-11-22)15-16-4-2-7-20-19(16)8-9-24(20)27(25,26)18-6-3-5-17(21)14-18/h2-9,14H,10-13,15H2,1H3
InChIKeyRNQZTGAZFQBJAX-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.76
Rot. Bonds4

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

1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole (PubChem CID 24965682) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID24965682
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3O2S/c1-22-10-12-23(13-11-22)15-16-4-2-7-20-19(16)8-9-24(20)27(25,26)18-6-3-5-17(21)14-18/h2-9,14H,10-13,15H2,1H3
InChIKeyRNQZTGAZFQBJAX-UHFFFAOYSA-N
XLogP2.76
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
CID 24967099
1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965679
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
1-(benzenesulfonyl)-6-fluoro-4-[(1-methylazepan-4-yl)methyl]indole
CID 143603060
4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
CID 24774937
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
1-pyridin-3-ylsulfonyl-4-(pyrrolidin-1-ylmethyl)indole;bis(2,2,2-trifluoroacetic acid)
CID 87547031
4-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10004719
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
CID 24775196
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510
[1-[[1-[3-(trifluoromethyl)phenyl]sulfonylindol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 70843107

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole (CID 24965682) is 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole is CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
The InChIKey is RNQZTGAZFQBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-22-10-12-23(13-11-22)15-16-4-2-7-20-19(16)8-9-24(20)27(25,26)18-6-3-5-17(21)14-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole has a molecular weight of 387.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 24965682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).