N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide

C23H29FN4O2S — CID 134096092

IUPACN-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)c(CN1CCN(C)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2S/c1-3-14-31(29,30)25-20-6-9-23-22(15-20)18(16-27-12-10-26(2)11-13-27)17-28(23)21-7-4-19(24)5-8-21/h4-9,15,17,25H,3,10-14,16H2,1-2H3
InChIKeyDSODOHOPMYSXII-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.67
Rot. Bonds7

About N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide

N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide (PubChem CID 134096092) has the molecular formula C23H29FN4O2S and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide
PubChem CID134096092
Molecular FormulaC23H29FN4O2S
Molecular Weight444.58 g/mol
Exact Mass444.20
IUPAC NameN-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)c(CN1CCN(C)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2S/c1-3-14-31(29,30)25-20-6-9-23-22(15-20)18(16-27-12-10-26(2)11-13-27)17-28(23)21-7-4-19(24)5-8-21/h4-9,15,17,25H,3,10-14,16H2,1-2H3
InChIKeyDSODOHOPMYSXII-UHFFFAOYSA-N
XLogP3.67
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide (CID 134096092) is N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2c(c1)c(CN1CCN(C)CC1)cn2-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide?
The InChIKey is DSODOHOPMYSXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2S/c1-3-14-31(29,30)25-20-6-9-23-22(15-20)18(16-27-12-10-26(2)11-13-27)17-28(23)21-7-4-19(24)5-8-21/h4-9,15,17,25H,3,10-14,16H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide?
N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide has a molecular weight of 444.58 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 134096092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).