N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide

C16H18N2O2S — CID 105357704

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1
InChIInChI=1S/C16H18N2O2S/c1-12-3-2-4-16(7-12)21(19,20)18-9-13-5-6-14-10-17-11-15(14)8-13/h2-8,17-18H,9-11H2,1H3
InChIKeyNDNLUXLTOGHQTL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.08
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide (PubChem CID 105357704) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
PubChem CID105357704
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1
InChIInChI=1S/C16H18N2O2S/c1-12-3-2-4-16(7-12)21(19,20)18-9-13-5-6-14-10-17-11-15(14)8-13/h2-8,17-18H,9-11H2,1H3
InChIKeyNDNLUXLTOGHQTL-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
4-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-N,2-dimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120876482
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 120724251
2-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120724258
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethoxybenzenesulfonamide
CID 120724219
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-5-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120724268
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide (CID 105357704) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide?
The InChIKey is NDNLUXLTOGHQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-3-2-4-16(7-12)21(19,20)18-9-13-5-6-14-10-17-11-15(14)8-13/h2-8,17-18H,9-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 105357704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).