N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide

C18H19FN2O4S — CID 178047773

IUPACN-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C2(O)C(=O)Nc3ccc(F)cc32)cc1
InChIInChI=1S/C18H19FN2O4S/c1-17(2,3)21-26(24,25)13-7-4-11(5-8-13)18(23)14-10-12(19)6-9-15(14)20-16(18)22/h4-10,21,23H,1-3H3,(H,20,22)
InChIKeySMBUVPOIKPPHII-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.09
Rot. Bonds3

About N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide

N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide (PubChem CID 178047773) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide
PubChem CID178047773
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C2(O)C(=O)Nc3ccc(F)cc32)cc1
InChIInChI=1S/C18H19FN2O4S/c1-17(2,3)21-26(24,25)13-7-4-11(5-8-13)18(23)14-10-12(19)6-9-15(14)20-16(18)22/h4-10,21,23H,1-3H3,(H,20,22)
InChIKeySMBUVPOIKPPHII-UHFFFAOYSA-N
XLogP2.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide (CID 178047773) is N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(C2(O)C(=O)Nc3ccc(F)cc32)cc1.
What is the InChIKey of N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is SMBUVPOIKPPHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-17(2,3)21-26(24,25)13-7-4-11(5-8-13)18(23)14-10-12(19)6-9-15(14)20-16(18)22/h4-10,21,23H,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide?
N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 178047773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).