N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C20H23FN2O2S — CID 10384804

IUPACN-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)Cc2c[nH]c3ccc(F)cc23)c(C)c1
InChIInChI=1S/C20H23FN2O2S/c1-12-7-13(2)20(14(3)8-12)26(24,25)23-15(4)9-16-11-22-19-6-5-17(21)10-18(16)19/h5-8,10-11,15,22-23H,9H2,1-4H3
InChIKeyKMZYEWRESUBAFB-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.14
Rot. Bonds5

About N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 10384804) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID10384804
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC NameN-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)Cc2c[nH]c3ccc(F)cc23)c(C)c1
InChIInChI=1S/C20H23FN2O2S/c1-12-7-13(2)20(14(3)8-12)26(24,25)23-15(4)9-16-11-22-19-6-5-17(21)10-18(16)19/h5-8,10-11,15,22-23H,9H2,1-4H3
InChIKeyKMZYEWRESUBAFB-UHFFFAOYSA-N
XLogP4.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 10384804) is N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(C)Cc2c[nH]c3ccc(F)cc23)c(C)c1.
What is the InChIKey of N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is KMZYEWRESUBAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-12-7-13(2)20(14(3)8-12)26(24,25)23-15(4)9-16-11-22-19-6-5-17(21)10-18(16)19/h5-8,10-11,15,22-23H,9H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 374.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 10384804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).