2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide

C12H18N2O3S — CID 47337096

IUPAC2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCS(N)(=O)=O)c1C
InChIInChI=1S/C12H18N2O3S/c1-9-5-3-6-11(10(9)2)12(15)14-7-4-8-18(13,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyQDPCAJCUXNGVAO-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.71
Rot. Bonds5

About 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide

2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide (PubChem CID 47337096) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
PubChem CID47337096
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCS(N)(=O)=O)c1C
InChIInChI=1S/C12H18N2O3S/c1-9-5-3-6-11(10(9)2)12(15)14-7-4-8-18(13,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyQDPCAJCUXNGVAO-UHFFFAOYSA-N
XLogP0.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-octadecylbenzamide
CID 174462915
2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
CID 107027336
2,3-dimethylbenzohydrazide
CID 16790549
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
3-(methylamino)-2-nitro-N-(3-sulfamoylpropyl)benzamide
CID 115548695
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide (CID 47337096) is 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide is Cc1cccc(C(=O)NCCCS(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is QDPCAJCUXNGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-5-3-6-11(10(9)2)12(15)14-7-4-8-18(13,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide?
2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 270.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 47337096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).