N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide

C25H32FNO5S — CID 175332334

IUPACN-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC2CCOCC2)c2c1CCC2O
InChIInChI=1S/C25H32FNO5S/c1-17(2)15-27(20-5-3-19(26)4-6-20)33(29,30)24-10-9-23(25-21(24)7-8-22(25)28)32-16-18-11-13-31-14-12-18/h3-6,9-10,17-18,22,28H,7-8,11-16H2,1-2H3
InChIKeyRSBJESGYPVXRJM-UHFFFAOYSA-N
MW477.60 g/mol
LogP4.46
Rot. Bonds8

About N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide

N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide (PubChem CID 175332334) has the molecular formula C25H32FNO5S and a molecular weight of 477.60 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide
PubChem CID175332334
Molecular FormulaC25H32FNO5S
Molecular Weight477.60 g/mol
Exact Mass477.20
IUPAC NameN-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC2CCOCC2)c2c1CCC2O
InChIInChI=1S/C25H32FNO5S/c1-17(2)15-27(20-5-3-19(26)4-6-20)33(29,30)24-10-9-23(25-21(24)7-8-22(25)28)32-16-18-11-13-31-14-12-18/h3-6,9-10,17-18,22,28H,7-8,11-16H2,1-2H3
InChIKeyRSBJESGYPVXRJM-UHFFFAOYSA-N
XLogP4.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-5-hydroxy-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 171358730
N-(1-benzothiophen-2-yl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide
CID 175332316
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121429520
3-(N,S-dimethylsulfinimidoyl)-N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 137445853
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(piperidin-4-ylmethoxy)benzenesulfonamide
CID 134607306
5-fluoro-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 63667463
(1S)-4-(cyclopropylmethoxy)-7-(difluoromethylsulfonyl)-2,2-difluoro-1,3-dihydroinden-1-ol
CID 134259326
1-ethyl-5-[[3-(hydroxymethyl)-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N,N-dimethylpyrazole-3-carboxamide
CID 142448932
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
4-[amino(oxan-4-ylmethyl)amino]-3-fluoro-N-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 137446210
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide (CID 175332334) is N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide is CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC2CCOCC2)c2c1CCC2O.
What is the InChIKey of N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide?
The InChIKey is RSBJESGYPVXRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO5S/c1-17(2)15-27(20-5-3-19(26)4-6-20)33(29,30)24-10-9-23(25-21(24)7-8-22(25)28)32-16-18-11-13-31-14-12-18/h3-6,9-10,17-18,22,28H,7-8,11-16H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide?
N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide has a molecular weight of 477.60 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-hydroxy-N-(2-methylpropyl)-7-(oxan-4-ylmethoxy)-2,3-dihydro-1H-indene-4-sulfonamide is sourced from PubChem (CID 175332334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).