6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole

C16H14N2O3S — CID 110759759

IUPAC6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C16H14N2O3S/c1-11-8-12-4-2-3-5-15(12)18(11)22(19,20)13-6-7-14-16(9-13)21-10-17-14/h2-7,9-11H,8H2,1H3
InChIKeyLIKCAWGVMRLDNN-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.97
Rot. Bonds2

About 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole

6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole (PubChem CID 110759759) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
PubChem CID110759759
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C16H14N2O3S/c1-11-8-12-4-2-3-5-15(12)18(11)22(19,20)13-6-7-14-16(9-13)21-10-17-14/h2-7,9-11H,8H2,1H3
InChIKeyLIKCAWGVMRLDNN-UHFFFAOYSA-N
XLogP2.97
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-4H-chromeno[3,4-d][1,2]oxazole
CID 46394778
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole?
The IUPAC name of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole (CID 110759759) is 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole.
What is the SMILES notation for 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole?
The canonical SMILES for 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole is CC1Cc2ccccc2N1S(=O)(=O)c1ccc2ncoc2c1.
What is the InChIKey of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole?
The InChIKey is LIKCAWGVMRLDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-11-8-12-4-2-3-5-15(12)18(11)22(19,20)13-6-7-14-16(9-13)21-10-17-14/h2-7,9-11H,8H2,1H3.
What are the key properties of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole?
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole has a molecular weight of 314.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole is sourced from PubChem (CID 110759759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).