2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide

C15H17N3O2S — CID 105357791

IUPAC2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C15H17N3O2S/c16-21(19,20)15-4-2-1-3-14(15)18-8-11-5-6-12-9-17-10-13(12)7-11/h1-7,17-18H,8-10H2,(H2,16,19,20)
InChIKeyXESUEFQZYNMNNW-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.55
Rot. Bonds4

About 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide

2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide (PubChem CID 105357791) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide
PubChem CID105357791
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C15H17N3O2S/c16-21(19,20)15-4-2-1-3-14(15)18-8-11-5-6-12-9-17-10-13(12)7-11/h1-7,17-18H,8-10H2,(H2,16,19,20)
InChIKeyXESUEFQZYNMNNW-UHFFFAOYSA-N
XLogP1.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 105357849
2-[[2,3-dihydro-1H-isoindol-5-ylmethyl(methyl)amino]methyl]benzenesulfonamide
CID 167991544
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 120723910
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-3-nitroaniline
CID 105357813
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide
CID 105358002
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 120723919
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 105357708
3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide
CID 60933450
5-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-nitroaniline
CID 105358180
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120724230
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-fluoro-2-nitroaniline
CID 105357843

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide (CID 105357791) is 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NCc1ccc2c(c1)CNC2.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is XESUEFQZYNMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-21(19,20)15-4-2-1-3-14(15)18-8-11-5-6-12-9-17-10-13(12)7-11/h1-7,17-18H,8-10H2,(H2,16,19,20).
What are the key properties of 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide?
2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 105357791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).