N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide

C15H16N2O3S — CID 100751542

IUPACN-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H]1Cc2ccccc2CO1)c1cccnc1
InChIInChI=1S/C15H16N2O3S/c18-21(19,15-6-3-7-16-10-15)17-9-14-8-12-4-1-2-5-13(12)11-20-14/h1-7,10,14,17H,8-9,11H2/t14-/m1/s1
InChIKeyNOVUEDJUVUGZPT-CQSZACIVSA-N
MW304.37 g/mol
LogP1.50
Rot. Bonds4

About N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide

N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide (PubChem CID 100751542) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide
PubChem CID100751542
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H]1Cc2ccccc2CO1)c1cccnc1
InChIInChI=1S/C15H16N2O3S/c18-21(19,15-6-3-7-16-10-15)17-9-14-8-12-4-1-2-5-13(12)11-20-14/h1-7,10,14,17H,8-9,11H2/t14-/m1/s1
InChIKeyNOVUEDJUVUGZPT-CQSZACIVSA-N
XLogP1.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide (CID 100751542) is N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide is O=S(=O)(NC[C@H]1Cc2ccccc2CO1)c1cccnc1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is NOVUEDJUVUGZPT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-21(19,15-6-3-7-16-10-15)17-9-14-8-12-4-1-2-5-13(12)11-20-14/h1-7,10,14,17H,8-9,11H2/t14-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide?
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 100751542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).