6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide

C14H9F2IN2O2S — CID 142393306

IUPAC6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H9F2IN2O2S/c15-8-1-3-10-13(5-8)18-7-14(10)22(20,21)19-12-4-2-9(17)6-11(12)16/h1-7,18-19H
InChIKeyBKUCCXQUPHSBPL-UHFFFAOYSA-N
MW434.21 g/mol
LogP3.85
Rot. Bonds3

About 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide

6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide (PubChem CID 142393306) has the molecular formula C14H9F2IN2O2S and a molecular weight of 434.21 g/mol. Its IUPAC name is 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
PubChem CID142393306
Molecular FormulaC14H9F2IN2O2S
Molecular Weight434.21 g/mol
Exact Mass433.94
IUPAC Name6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H9F2IN2O2S/c15-8-1-3-10-13(5-8)18-7-14(10)22(20,21)19-12-4-2-9(17)6-11(12)16/h1-7,18-19H
InChIKeyBKUCCXQUPHSBPL-UHFFFAOYSA-N
XLogP3.85
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 53.85
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

6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
N-(4-cyanophenyl)-6-fluoro-1H-indole-3-sulfonamide
CID 135187095
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 158335976
N-(4-ethynyl-2-fluorophenyl)-6-methoxy-1H-indole-3-sulfonamide
CID 135187062
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135201156
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide (CID 142393306) is 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide is O=S(=O)(Nc1ccc(I)cc1F)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide?
The InChIKey is BKUCCXQUPHSBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IN2O2S/c15-8-1-3-10-13(5-8)18-7-14(10)22(20,21)19-12-4-2-9(17)6-11(12)16/h1-7,18-19H.
What are the key properties of 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide?
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide has a molecular weight of 434.21 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 142393306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).