2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide

C11H16N2O3S2 — CID 107027336

IUPAC2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H16N2O3S2/c1-8-3-4-9(17)7-10(8)11(14)13-5-2-6-18(12,15)16/h3-4,7,17H,2,5-6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDAAKSSXFDNILKS-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.69
Rot. Bonds5

About 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide

2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide (PubChem CID 107027336) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
PubChem CID107027336
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H16N2O3S2/c1-8-3-4-9(17)7-10(8)11(14)13-5-2-6-18(12,15)16/h3-4,7,17H,2,5-6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDAAKSSXFDNILKS-UHFFFAOYSA-N
XLogP0.69
TPSA89.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
N-[3-(ethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107023995
2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
CID 47337096
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
CID 107023107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide (CID 107027336) is 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide?
The InChIKey is DAAKSSXFDNILKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8-3-4-9(17)7-10(8)11(14)13-5-2-6-18(12,15)16/h3-4,7,17H,2,5-6H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide?
2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107027336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).