N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide

C21H23FN2O2S — CID 155564132

IUPACN-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)C1CCCCC1
InChIInChI=1S/C21H23FN2O2S/c22-18-8-6-16(7-9-18)15-24-13-12-17-14-19(10-11-21(17)24)23-27(25,26)20-4-2-1-3-5-20/h6-14,20,23H,1-5,15H2
InChIKeyTUQRXLUBQWULPJ-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.90
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide

N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide (PubChem CID 155564132) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide
PubChem CID155564132
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)C1CCCCC1
InChIInChI=1S/C21H23FN2O2S/c22-18-8-6-16(7-9-18)15-24-13-12-17-14-19(10-11-21(17)24)23-27(25,26)20-4-2-1-3-5-20/h6-14,20,23H,1-5,15H2
InChIKeyTUQRXLUBQWULPJ-UHFFFAOYSA-N
XLogP4.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide (CID 155564132) is N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide is O=S(=O)(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)C1CCCCC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide?
The InChIKey is TUQRXLUBQWULPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c22-18-8-6-16(7-9-18)15-24-13-12-17-14-19(10-11-21(17)24)23-27(25,26)20-4-2-1-3-5-20/h6-14,20,23H,1-5,15H2.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide?
N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide has a molecular weight of 386.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indol-5-yl]cyclohexanesulfonamide is sourced from PubChem (CID 155564132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).