5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C12H18ClN3O3S — CID 79555934

IUPAC5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(Cl)ccc1NN)S(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,20(3,18)19)7-15-11(17)9-6-8(13)4-5-10(9)16-14/h4-6,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyAYXCCHSSGWQDNH-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.18
Rot. Bonds5

About 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide

5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79555934) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79555934
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(Cl)ccc1NN)S(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,20(3,18)19)7-15-11(17)9-6-8(13)4-5-10(9)16-14/h4-6,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyAYXCCHSSGWQDNH-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.18
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-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
CID 115357292
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
CID 106687009
5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
CID 106241299
4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551946
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79555934) is 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CC(C)(CNC(=O)c1cc(Cl)ccc1NN)S(C)(=O)=O.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is AYXCCHSSGWQDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-12(2,20(3,18)19)7-15-11(17)9-6-8(13)4-5-10(9)16-14/h4-6,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 319.81 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79555934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).