N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide

C9H10N2O4S — CID 154691321

IUPACN-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(O)NC2=O
InChIInChI=1S/C9H10N2O4S/c1-16(14,15)11-5-2-3-6-7(4-5)9(13)10-8(6)12/h2-4,9,11,13H,1H3,(H,10,12)
InChIKeyPCIYSFFUNUNLSK-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.21
Rot. Bonds2

About N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide

N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide (PubChem CID 154691321) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide
PubChem CID154691321
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC NameN-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(O)NC2=O
InChIInChI=1S/C9H10N2O4S/c1-16(14,15)11-5-2-3-6-7(4-5)9(13)10-8(6)12/h2-4,9,11,13H,1H3,(H,10,12)
InChIKeyPCIYSFFUNUNLSK-UHFFFAOYSA-N
XLogP-0.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
CID 174269520
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 123560308
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
CID 14985976
N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
N-(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-7-yl)methanesulfonamide
CID 24858396
N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide
CID 3055476
N-[4-(7,7-dimethyl-6-oxo-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide
CID 70353459
N-[4-(cyclohexylamino)-3-hydroxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-7-yl]methanesulfonamide
CID 45138827
N-[4-(methanesulfonamido)phenyl]-2-(2-methylpyridine-3-carbonyl)-5-oxo-3,3a,4,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinoline-8-carboxamide
CID 171675330
[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid
CID 163339184
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide
CID 176906825

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide?
The IUPAC name of N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide (CID 154691321) is N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C(O)NC2=O.
What is the InChIKey of N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide?
The InChIKey is PCIYSFFUNUNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-16(14,15)11-5-2-3-6-7(4-5)9(13)10-8(6)12/h2-4,9,11,13H,1H3,(H,10,12).
What are the key properties of N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide?
N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-oxo-2,3-dihydroisoindol-5-yl)methanesulfonamide is sourced from PubChem (CID 154691321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).