4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide

C11H17N3O3S — CID 63211458

IUPAC4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cc(C(=O)NCCS(C)(=O)=O)ccc1NN
InChIInChI=1S/C11H17N3O3S/c1-8-7-9(3-4-10(8)14-12)11(15)13-5-6-18(2,16)17/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyXSRASSAXGDMBCJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.06
Rot. Bonds5

About 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide

4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 63211458) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID63211458
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cc(C(=O)NCCS(C)(=O)=O)ccc1NN
InChIInChI=1S/C11H17N3O3S/c1-8-7-9(3-4-10(8)14-12)11(15)13-5-6-18(2,16)17/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyXSRASSAXGDMBCJ-UHFFFAOYSA-N
XLogP0.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.06
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

4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide
CID 113411061
4-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbenzamide
CID 63211606
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 63212418
(E)-3-[2-methyl-5-(2-methylsulfonylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 81460577
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
2,3-dimethyl-5-(2-methylsulfonylethylcarbamoyl)benzenesulfonyl chloride
CID 65370576

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide (CID 63211458) is 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide is Cc1cc(C(=O)NCCS(C)(=O)=O)ccc1NN.
What is the InChIKey of 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is XSRASSAXGDMBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-7-9(3-4-10(8)14-12)11(15)13-5-6-18(2,16)17/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15).
What are the key properties of 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide?
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 271.34 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 63211458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).