N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide

C15H14FNO3S — CID 64780149

IUPACN-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14FNO3S/c16-14-9-12(5-7-15(14)18)17-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,17-18H,1-3H2
InChIKeyBFQPBZWMTULKRI-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.82
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 64780149) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID64780149
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14FNO3S/c16-14-9-12(5-7-15(14)18)17-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,17-18H,1-3H2
InChIKeyBFQPBZWMTULKRI-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 166375642
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55361465
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 64780149) is N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is BFQPBZWMTULKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-14-9-12(5-7-15(14)18)17-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,17-18H,1-3H2.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 307.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 64780149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).