N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide

C19H21FN2O2S — CID 4997493

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C19H21FN2O2S/c1-13(2)14-3-6-17(7-4-14)25(23,24)22-10-9-15-12-21-19-8-5-16(20)11-18(15)19/h3-8,11-13,21-22H,9-10H2,1-2H3
InChIKeyJNXXOMISEFORLL-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 4997493) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID4997493
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C19H21FN2O2S/c1-13(2)14-3-6-17(7-4-14)25(23,24)22-10-9-15-12-21-19-8-5-16(20)11-18(15)19/h3-8,11-13,21-22H,9-10H2,1-2H3
InChIKeyJNXXOMISEFORLL-UHFFFAOYSA-N
XLogP3.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
CID 5008232
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 4973985
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-nitrobenzenesulfonamide
CID 3603975
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 113085392
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 113083875
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzenesulfonamide
CID 17271743
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide (CID 4997493) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is JNXXOMISEFORLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13(2)14-3-6-17(7-4-14)25(23,24)22-10-9-15-12-21-19-8-5-16(20)11-18(15)19/h3-8,11-13,21-22H,9-10H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 360.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 4997493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).