N-[4-(dimethylsulfamoyl)phenyl]formamide

C9H12N2O3S — CID 897238

IUPACN-[4-(dimethylsulfamoyl)phenyl]formamide
SMILESCN(C)S(=O)(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-11(2)15(13,14)9-5-3-8(4-6-9)10-7-12/h3-7H,1-2H3,(H,10,12)
InChIKeyZPGCNNBUBVZIEC-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.51
Rot. Bonds4

About N-[4-(dimethylsulfamoyl)phenyl]formamide

N-[4-(dimethylsulfamoyl)phenyl]formamide (PubChem CID 897238) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]formamide
PubChem CID897238
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]formamide
SMILESCN(C)S(=O)(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-11(2)15(13,14)9-5-3-8(4-6-9)10-7-12/h3-7H,1-2H3,(H,10,12)
InChIKeyZPGCNNBUBVZIEC-UHFFFAOYSA-N
XLogP0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]formamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]formamide (CID 897238) is N-[4-(dimethylsulfamoyl)phenyl]formamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]formamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]formamide is CN(C)S(=O)(=O)c1ccc(NC=O)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]formamide?
The InChIKey is ZPGCNNBUBVZIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11(2)15(13,14)9-5-3-8(4-6-9)10-7-12/h3-7H,1-2H3,(H,10,12).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]formamide?
N-[4-(dimethylsulfamoyl)phenyl]formamide has a molecular weight of 228.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]formamide is sourced from PubChem (CID 897238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).