N-(2,3-dimethyl-5-sulfamoylphenyl)formamide

C9H12N2O3S — CID 64990440

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)formamide
SMILESCc1cc(S(N)(=O)=O)cc(NC=O)c1C
InChIInChI=1S/C9H12N2O3S/c1-6-3-8(15(10,13)14)4-9(7(6)2)11-5-12/h3-5H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyJPTSROYUTDEIAL-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.52
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)formamide

N-(2,3-dimethyl-5-sulfamoylphenyl)formamide (PubChem CID 64990440) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)formamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)formamide
PubChem CID64990440
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)formamide
SMILESCc1cc(S(N)(=O)=O)cc(NC=O)c1C
InChIInChI=1S/C9H12N2O3S/c1-6-3-8(15(10,13)14)4-9(7(6)2)11-5-12/h3-5H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyJPTSROYUTDEIAL-UHFFFAOYSA-N
XLogP0.52
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide
CID 43684672
3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 43684712
3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241717
N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766850
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)formamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)formamide (CID 64990440) is N-(2,3-dimethyl-5-sulfamoylphenyl)formamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)formamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)formamide is Cc1cc(S(N)(=O)=O)cc(NC=O)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)formamide?
The InChIKey is JPTSROYUTDEIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-6-3-8(15(10,13)14)4-9(7(6)2)11-5-12/h3-5H,1-2H3,(H,11,12)(H2,10,13,14).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)formamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)formamide has a molecular weight of 228.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)formamide is sourced from PubChem (CID 64990440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).