2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide

C16H14F2N2O2S — CID 25035880

IUPAC2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O2S/c17-13-5-3-6-14(18)16(13)23(21,22)20-9-8-11-10-19-15-7-2-1-4-12(11)15/h1-7,10,19-20H,8-9H2
InChIKeyRJFCGYCPAOZURX-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.97
Rot. Bonds5

About 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide

2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 25035880) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID25035880
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O2S/c17-13-5-3-6-14(18)16(13)23(21,22)20-9-8-11-10-19-15-7-2-1-4-12(11)15/h1-7,10,19-20H,8-9H2
InChIKeyRJFCGYCPAOZURX-UHFFFAOYSA-N
XLogP2.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056
N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
CID 84760927
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 2823180
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
N-[2-(1H-indol-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 19590106
N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109062575
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
4-[2-(1H-indol-3-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 58615628

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 25035880) is 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ccccc12)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is RJFCGYCPAOZURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c17-13-5-3-6-14(18)16(13)23(21,22)20-9-8-11-10-19-15-7-2-1-4-12(11)15/h1-7,10,19-20H,8-9H2.
What are the key properties of 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 336.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25035880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).