4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide

C11H16N2O3S2 — CID 112733928

IUPAC4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
SMILESCSc1ccc(C(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S2/c1-17-10-5-3-9(4-6-10)11(14)13-7-2-8-18(12,15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDXTMNSBUVIKAQP-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.82
Rot. Bonds6

About 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide

4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide (PubChem CID 112733928) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
PubChem CID112733928
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
SMILESCSc1ccc(C(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S2/c1-17-10-5-3-9(4-6-10)11(14)13-7-2-8-18(12,15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDXTMNSBUVIKAQP-UHFFFAOYSA-N
XLogP0.82
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethylsulfanyl)-N-(4-sulfamoylbutyl)benzamide
CID 125143860
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
N-(5-bromopentyl)-4-methylsulfanylbenzamide
CID 107322033
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
4-hydroxy-N-(2-sulfamoylethyl)benzamide
CID 43552549
N-(4-chloropentyl)-4-methylsulfanylbenzamide
CID 106130096
N-(3-aminobutyl)-4-methylsulfanylbenzamide
CID 54425720
N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588
4-(ethylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169560
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide (CID 112733928) is 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide is CSc1ccc(C(=O)NCCCS(N)(=O)=O)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is DXTMNSBUVIKAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-17-10-5-3-9(4-6-10)11(14)13-7-2-8-18(12,15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide?
4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 112733928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).