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

C16H14FIN2O2S — CID 5008232

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(I)cc1
InChIInChI=1S/C16H14FIN2O2S/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
InChIKeyDLDSMDJFQBNJAF-UHFFFAOYSA-N
MW444.27 g/mol
LogP3.43
Rot. Bonds5

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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide (PubChem CID 5008232) has the molecular formula C16H14FIN2O2S and a molecular weight of 444.27 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
PubChem CID5008232
Molecular FormulaC16H14FIN2O2S
Molecular Weight444.27 g/mol
Exact Mass443.98
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(I)cc1
InChIInChI=1S/C16H14FIN2O2S/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
InChIKeyDLDSMDJFQBNJAF-UHFFFAOYSA-N
XLogP3.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 4997493
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]-2-nitrobenzenesulfonamide
CID 3603975
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
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
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzenesulfonamide
CID 17271743
N-[(5-fluoro-2-methylphenyl)methyl]-4-iodobenzenesulfonamide
CID 3682608
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide (CID 5008232) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(I)cc1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide?
The InChIKey is DLDSMDJFQBNJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN2O2S/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-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide has a molecular weight of 444.27 g/mol, XLogP of 3.43, 5 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-iodobenzenesulfonamide is sourced from PubChem (CID 5008232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).