N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide

C16H17NO3S — CID 2836278

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1OCCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19,14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-20-16/h1-9,16-17H,10-12H2
InChIKeyPOWDXZIOKBLZCH-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.28
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide (PubChem CID 2836278) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
PubChem CID2836278
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1OCCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19,14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-20-16/h1-9,16-17H,10-12H2
InChIKeyPOWDXZIOKBLZCH-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide (CID 2836278) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1OCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide?
The InChIKey is POWDXZIOKBLZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-20-16/h1-9,16-17H,10-12H2.
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2836278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).