N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C18H17N3O5S — CID 55985101

IUPACN-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccccc3S(=O)(=O)N(C)C)cc2C1=O
InChIInChI=1S/C18H17N3O5S/c1-20(2)27(25,26)15-7-5-4-6-14(15)19-16(22)11-8-9-12-13(10-11)18(24)21(3)17(12)23/h4-10H,1-3H3,(H,19,22)
InChIKeyMVVZETKFQYQGHV-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55985101) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID55985101
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccccc3S(=O)(=O)N(C)C)cc2C1=O
InChIInChI=1S/C18H17N3O5S/c1-20(2)27(25,26)15-7-5-4-6-14(15)19-16(22)11-8-9-12-13(10-11)18(24)21(3)17(12)23/h4-10H,1-3H3,(H,19,22)
InChIKeyMVVZETKFQYQGHV-UHFFFAOYSA-N
XLogP1.41
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55985232
2-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
CID 921374
N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55985107
4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26915292
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26360019
2,5-dichloro-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984214
N-[2-(dimethylsulfamoyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55985734
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55333038
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 55985101) is N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccccc3S(=O)(=O)N(C)C)cc2C1=O.
What is the InChIKey of N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MVVZETKFQYQGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-20(2)27(25,26)15-7-5-4-6-14(15)19-16(22)11-8-9-12-13(10-11)18(24)21(3)17(12)23/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55985101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).