N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide

C16H14ClFN2O2S — CID 3161292

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2S/c17-12-1-6-16-15(9-12)11(10-19-16)7-8-20-23(21,22)14-4-2-13(18)3-5-14/h1-6,9-10,19-20H,7-8H2
InChIKeyZJIRWWAKQXVHIP-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 3161292) has the molecular formula C16H14ClFN2O2S and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID3161292
Molecular FormulaC16H14ClFN2O2S
Molecular Weight352.82 g/mol
Exact Mass352.04
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2S/c17-12-1-6-16-15(9-12)11(10-19-16)7-8-20-23(21,22)14-4-2-13(18)3-5-14/h1-6,9-10,19-20H,7-8H2
InChIKeyZJIRWWAKQXVHIP-UHFFFAOYSA-N
XLogP3.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
CID 5008232
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 4997493
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 113083875
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-nitrobenzenesulfonamide
CID 3603975
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832
2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3776949

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide (CID 3161292) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is ZJIRWWAKQXVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S/c17-12-1-6-16-15(9-12)11(10-19-16)7-8-20-23(21,22)14-4-2-13(18)3-5-14/h1-6,9-10,19-20H,7-8H2.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 352.82 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3161292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).