6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

C15H11FN2O4S — CID 110725206

IUPAC6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCc4cccc(F)c43)cc2o1
InChIInChI=1S/C15H11FN2O4S/c16-11-3-1-2-9-6-7-18(14(9)11)23(20,21)10-4-5-12-13(8-10)22-15(19)17-12/h1-5,8H,6-7H2,(H,17,19)
InChIKeyDEANLUWCXPOPPM-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.01
Rot. Bonds2

About 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 110725206) has the molecular formula C15H11FN2O4S and a molecular weight of 334.33 g/mol. Its IUPAC name is 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
PubChem CID110725206
Molecular FormulaC15H11FN2O4S
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCc4cccc(F)c43)cc2o1
InChIInChI=1S/C15H11FN2O4S/c16-11-3-1-2-9-6-7-18(14(9)11)23(20,21)10-4-5-12-13(8-10)22-15(19)17-12/h1-5,8H,6-7H2,(H,17,19)
InChIKeyDEANLUWCXPOPPM-UHFFFAOYSA-N
XLogP2.01
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95169419
6-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 110290903
1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
CID 75432386
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110398823
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110370794
6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 56900612
6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95230701
5-pyrrolidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
CID 110760633
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576

Frequently Asked Questions

What is the IUPAC name of 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (CID 110725206) is 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCc4cccc(F)c43)cc2o1.
What is the InChIKey of 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is DEANLUWCXPOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S/c16-11-3-1-2-9-6-7-18(14(9)11)23(20,21)10-4-5-12-13(8-10)22-15(19)17-12/h1-5,8H,6-7H2,(H,17,19).
What are the key properties of 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 334.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110725206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).