N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide

C12H20N4O3S — CID 106340952

IUPACN-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N(C)C)c(NN)c1
InChIInChI=1S/C12H20N4O3S/c1-9-4-5-10(11(8-9)15-13)12(17)14-6-7-20(18,19)16(2)3/h4-5,8,15H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyPDGVQGSLZMWQML-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.10
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide

N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide (PubChem CID 106340952) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
PubChem CID106340952
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N(C)C)c(NN)c1
InChIInChI=1S/C12H20N4O3S/c1-9-4-5-10(11(8-9)15-13)12(17)14-6-7-20(18,19)16(2)3/h4-5,8,15H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyPDGVQGSLZMWQML-UHFFFAOYSA-N
XLogP-0.10
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
N-[2-(dimethylsulfamoyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 106340949
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 106340904
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 114188316
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxybenzamide
CID 106339696
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide
CID 106900777
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685934

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide (CID 106340952) is N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide is Cc1ccc(C(=O)NCCS(=O)(=O)N(C)C)c(NN)c1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide?
The InChIKey is PDGVQGSLZMWQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-4-5-10(11(8-9)15-13)12(17)14-6-7-20(18,19)16(2)3/h4-5,8,15H,6-7,13H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide?
N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide is sourced from PubChem (CID 106340952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).