6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one

C18H18N2O3S2 — CID 100731124

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one
SMILESCC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C18H18N2O3S2/c1-12(2)20-16-8-7-14(11-17(16)24-18(20)21)25(22,23)19-10-9-13-5-3-4-6-15(13)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyNVKVTGDZMORREV-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.40
Rot. Bonds3

About 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one

6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one (PubChem CID 100731124) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one
PubChem CID100731124
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one
SMILESCC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C18H18N2O3S2/c1-12(2)20-16-8-7-14(11-17(16)24-18(20)21)25(22,23)19-10-9-13-5-3-4-6-15(13)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyNVKVTGDZMORREV-UHFFFAOYSA-N
XLogP3.40
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110758239
2-oxo-3-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzothiazole-6-sulfonamide
CID 100731713
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
N-[(1R)-1-(2-methylphenyl)ethyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100733682
(2R)-4-(4-chlorophenyl)sulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 100555275
N-(2,6-dimethylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728183
N-(2-bromophenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728487
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one (CID 100731124) is 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one is CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one?
The InChIKey is NVKVTGDZMORREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-12(2)20-16-8-7-14(11-17(16)24-18(20)21)25(22,23)19-10-9-13-5-3-4-6-15(13)19/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one?
6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one has a molecular weight of 374.49 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one is sourced from PubChem (CID 100731124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).