6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

C15H11BrN2O4S — CID 95169419

IUPAC6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2o1
InChIInChI=1S/C15H11BrN2O4S/c16-10-1-4-13-9(7-10)5-6-18(13)23(20,21)11-2-3-12-14(8-11)22-15(19)17-12/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyPYJPYZVFHDKVGA-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.63
Rot. Bonds2

About 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 95169419) has the molecular formula C15H11BrN2O4S and a molecular weight of 395.23 g/mol. Its IUPAC name is 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
PubChem CID95169419
Molecular FormulaC15H11BrN2O4S
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2o1
InChIInChI=1S/C15H11BrN2O4S/c16-10-1-4-13-9(7-10)5-6-18(13)23(20,21)11-2-3-12-14(8-11)22-15(19)17-12/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyPYJPYZVFHDKVGA-UHFFFAOYSA-N
XLogP2.63
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110725206
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 24622202
5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 110714206
6-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 110290903
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288193
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one
CID 4050913
6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 56900612
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110370794
6-(4-butanoylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110817332

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (CID 95169419) is 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2o1.
What is the InChIKey of 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is PYJPYZVFHDKVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4S/c16-10-1-4-13-9(7-10)5-6-18(13)23(20,21)11-2-3-12-14(8-11)22-15(19)17-12/h1-4,7-8H,5-6H2,(H,17,19).
What are the key properties of 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 395.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 95169419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).