N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide

C14H12F4N2O3S — CID 177334320

IUPACN-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(O)cc1F)c1c[nH]c2c1CCC(F)(F)C2
InChIInChI=1S/C14H12F4N2O3S/c15-8-4-12(21)9(16)3-10(8)20-24(22,23)13-6-19-11-5-14(17,18)2-1-7(11)13/h3-4,6,19-21H,1-2,5H2
InChIKeyBHUWUKQMGVIJKA-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.92
Rot. Bonds3

About N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide

N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide (PubChem CID 177334320) has the molecular formula C14H12F4N2O3S and a molecular weight of 364.32 g/mol. Its IUPAC name is N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide
PubChem CID177334320
Molecular FormulaC14H12F4N2O3S
Molecular Weight364.32 g/mol
Exact Mass364.05
IUPAC NameN-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(O)cc1F)c1c[nH]c2c1CCC(F)(F)C2
InChIInChI=1S/C14H12F4N2O3S/c15-8-4-12(21)9(16)3-10(8)20-24(22,23)13-6-19-11-5-14(17,18)2-1-7(11)13/h3-4,6,19-21H,1-2,5H2
InChIKeyBHUWUKQMGVIJKA-UHFFFAOYSA-N
XLogP2.92
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,5-difluorophenyl)-6-cyano-6-(trideuteriomethoxy)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334465
(6S)-N-[4-bromo-5-(difluoromethyl)-2-fluorophenyl]-6-(difluoromethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334366
N-(4-cyano-2-fluorophenyl)-6-methoxy-6-methyl-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 171649847
(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334423
N-(4-bromo-2,5-difluorophenyl)-6,6-dioxo-1,4,5,7-tetrahydrothiopyrano[3,4-b]pyrrole-3-sulfonamide
CID 177334477
6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
CID 171649871
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
CID 171649909
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392
N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-6-methyl-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 171649994
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide?
The IUPAC name of N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide (CID 177334320) is N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide.
What is the SMILES notation for N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide?
The canonical SMILES for N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(O)cc1F)c1c[nH]c2c1CCC(F)(F)C2.
What is the InChIKey of N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide?
The InChIKey is BHUWUKQMGVIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3S/c15-8-4-12(21)9(16)3-10(8)20-24(22,23)13-6-19-11-5-14(17,18)2-1-7(11)13/h3-4,6,19-21H,1-2,5H2.
What are the key properties of N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide?
N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide has a molecular weight of 364.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide is sourced from PubChem (CID 177334320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).