N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide

C10H12N2O3S — CID 22090497

IUPACN-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCn1cc2ccccc2c1O
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)11-7-12-6-8-4-2-3-5-9(8)10(12)13/h2-6,11,13H,7H2,1H3
InChIKeyKDRRSHZFCXOHCT-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.85
Rot. Bonds3

About N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide

N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide (PubChem CID 22090497) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide
PubChem CID22090497
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCn1cc2ccccc2c1O
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)11-7-12-6-8-4-2-3-5-9(8)10(12)13/h2-6,11,13H,7H2,1H3
InChIKeyKDRRSHZFCXOHCT-UHFFFAOYSA-N
XLogP0.85
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide (CID 22090497) is N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide is CS(=O)(=O)NCn1cc2ccccc2c1O.
What is the InChIKey of N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide?
The InChIKey is KDRRSHZFCXOHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-16(14,15)11-7-12-6-8-4-2-3-5-9(8)10(12)13/h2-6,11,13H,7H2,1H3.
What are the key properties of N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide?
N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 22090497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).