6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one

C19H20N2O3S2 — CID 133207560

IUPAC6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C
InChIInChI=1S/C19H20N2O3S2/c1-12(2)20-17-9-8-15(11-18(17)25-19(20)22)26(23,24)21-13(3)10-14-6-4-5-7-16(14)21/h4-9,11-13H,10H2,1-3H3
InChIKeyZZDOIDSQCBRPTM-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.78
Rot. Bonds3

About 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one

6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one (PubChem CID 133207560) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one
PubChem CID133207560
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C
InChIInChI=1S/C19H20N2O3S2/c1-12(2)20-17-9-8-15(11-18(17)25-19(20)22)26(23,24)21-13(3)10-14-6-4-5-7-16(14)21/h4-9,11-13H,10H2,1-3H3
InChIKeyZZDOIDSQCBRPTM-UHFFFAOYSA-N
XLogP3.78
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one
CID 100731124
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
2-oxo-3-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzothiazole-6-sulfonamide
CID 100731713
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
3-ethyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100726632
(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 27332586
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
N-(2,6-dimethylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728183
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
CID 110759759

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one?
The IUPAC name of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one (CID 133207560) is 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one is CC1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C.
What is the InChIKey of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one?
The InChIKey is ZZDOIDSQCBRPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-12(2)20-17-9-8-15(11-18(17)25-19(20)22)26(23,24)21-13(3)10-14-6-4-5-7-16(14)21/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one?
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one has a molecular weight of 388.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one is sourced from PubChem (CID 133207560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).