N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C16H15N3O2S2 — CID 71890485

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CCC2)c1cccc2nsnc12
InChIInChI=1S/C16H15N3O2S2/c20-23(21,15-6-2-5-14-16(15)19-22-18-14)17-10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9,17H,1,3-4,10H2
InChIKeyZDUUZRQRGIBNEA-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.66
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 71890485) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID71890485
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CCC2)c1cccc2nsnc12
InChIInChI=1S/C16H15N3O2S2/c20-23(21,15-6-2-5-14-16(15)19-22-18-14)17-10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9,17H,1,3-4,10H2
InChIKeyZDUUZRQRGIBNEA-UHFFFAOYSA-N
XLogP2.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122246143
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206227
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53092628
N-[(5-cyclopropyl-3-pyridinyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122246938
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122280996
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
CID 55905079
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63627876
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 146080846
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63732959

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 71890485) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCc1ccc2c(c1)CCC2)c1cccc2nsnc12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is ZDUUZRQRGIBNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-23(21,15-6-2-5-14-16(15)19-22-18-14)17-10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9,17H,1,3-4,10H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 345.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 71890485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).