N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide

C15H13FN2O2S — CID 122186749

IUPACN-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c(-c3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C15H13FN2O2S/c1-21(19,20)18-14-4-2-3-12-13(9-17-15(12)14)10-5-7-11(16)8-6-10/h2-9,17-18H,1H3
InChIKeyJXRAVTIDZDMHLO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.35
Rot. Bonds3

About N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide

N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide (PubChem CID 122186749) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide
PubChem CID122186749
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c(-c3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C15H13FN2O2S/c1-21(19,20)18-14-4-2-3-12-13(9-17-15(12)14)10-5-7-11(16)8-6-10/h2-9,17-18H,1H3
InChIKeyJXRAVTIDZDMHLO-UHFFFAOYSA-N
XLogP3.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide (CID 122186749) is N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide is CS(=O)(=O)Nc1cccc2c(-c3ccc(F)cc3)c[nH]c12.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide?
The InChIKey is JXRAVTIDZDMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-21(19,20)18-14-4-2-3-12-13(9-17-15(12)14)10-5-7-11(16)8-6-10/h2-9,17-18H,1H3.
What are the key properties of N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide?
N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 122186749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).