N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide

C16H16N4O6S2 — CID 56582379

IUPACN-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H16N4O6S2/c1-17-13-6-4-10(27(23,24)18-2)8-14(13)20-28(25,26)9-3-5-11-12(7-9)16(22)19-15(11)21/h3-8,17-18,20H,1-2H3,(H,19,21,22)
InChIKeyAXCFAEWOWYXJRL-UHFFFAOYSA-N
MW424.46 g/mol
LogP0.32
Rot. Bonds6

About N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide

N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 56582379) has the molecular formula C16H16N4O6S2 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
PubChem CID56582379
Molecular FormulaC16H16N4O6S2
Molecular Weight424.46 g/mol
Exact Mass424.05
IUPAC NameN-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H16N4O6S2/c1-17-13-6-4-10(27(23,24)18-2)8-14(13)20-28(25,26)9-3-5-11-12(7-9)16(22)19-15(11)21/h3-8,17-18,20H,1-2H3,(H,19,21,22)
InChIKeyAXCFAEWOWYXJRL-UHFFFAOYSA-N
XLogP0.32
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820383
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
CID 98986189
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide
CID 56582600
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820371
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56560913

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide (CID 56582379) is N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide is CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is AXCFAEWOWYXJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O6S2/c1-17-13-6-4-10(27(23,24)18-2)8-14(13)20-28(25,26)9-3-5-11-12(7-9)16(22)19-15(11)21/h3-8,17-18,20H,1-2H3,(H,19,21,22).
What are the key properties of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide?
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 424.46 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 56582379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).