1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

C16H14FN3O3S — CID 71971133

IUPAC1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccc(F)cc3o1)CC2
InChIInChI=1S/C16H14FN3O3S/c17-11-2-4-13-15(7-11)23-16(19-13)9-20-6-5-10-1-3-12(8-14(10)20)24(18,21)22/h1-4,7-8H,5-6,9H2,(H2,18,21,22)
InChIKeyCPAPGXFLSQJMHG-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.18
Rot. Bonds3

About 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 71971133) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID71971133
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccc(F)cc3o1)CC2
InChIInChI=1S/C16H14FN3O3S/c17-11-2-4-13-15(7-11)23-16(19-13)9-20-6-5-10-1-3-12(8-14(10)20)24(18,21)22/h1-4,7-8H,5-6,9H2,(H2,18,21,22)
InChIKeyCPAPGXFLSQJMHG-UHFFFAOYSA-N
XLogP2.18
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103494165
1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide
CID 56792914
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733
2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide
CID 118848958
2-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103815804
N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 126797171
1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
CID 111496549
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25382319
1-(4-cyanobutyl)-2,3-dihydroindole-6-sulfonamide
CID 71986862
2-[(4-fluorophenyl)sulfonylmethyl]-1,3-benzoxazol-6-amine
CID 79998194
1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 75423678

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (CID 71971133) is 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccc(F)cc3o1)CC2.
What is the InChIKey of 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is CPAPGXFLSQJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c17-11-2-4-13-15(7-11)23-16(19-13)9-20-6-5-10-1-3-12(8-14(10)20)24(18,21)22/h1-4,7-8H,5-6,9H2,(H2,18,21,22).
What are the key properties of 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 347.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 71971133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).