1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide

C16H15N3O2S2 — CID 56792914

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccccc3s1)CC2
InChIInChI=1S/C16H15N3O2S2/c17-23(20,21)12-6-5-11-7-8-19(14(11)9-12)10-16-18-13-3-1-2-4-15(13)22-16/h1-6,9H,7-8,10H2,(H2,17,20,21)
InChIKeyGQBPJDLXFNUOMX-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.51
Rot. Bonds3

About 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide

1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 56792914) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID56792914
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccccc3s1)CC2
InChIInChI=1S/C16H15N3O2S2/c17-23(20,21)12-6-5-11-7-8-19(14(11)9-12)10-16-18-13-3-1-2-4-15(13)22-16/h1-6,9H,7-8,10H2,(H2,17,20,21)
InChIKeyGQBPJDLXFNUOMX-UHFFFAOYSA-N
XLogP2.51
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954244
1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974762
1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
CID 111496549
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 146138470
6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide
CID 8568042
1,3-benzothiazol-2-ylmethanesulfonamide
CID 79818870
1-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 104632290
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
N-(1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 32944502
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337855

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide (CID 56792914) is 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccccc3s1)CC2.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is GQBPJDLXFNUOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c17-23(20,21)12-6-5-11-7-8-19(14(11)9-12)10-16-18-13-3-1-2-4-15(13)22-16/h1-6,9H,7-8,10H2,(H2,17,20,21).
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide?
1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 345.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 56792914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).