[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine

C14H21ClN2O3S — CID 105332467

IUPAC[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1cc(Cl)cc2c1OCC2)NN)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,21(3,18)19)12(17-16)8-10-7-11(15)6-9-4-5-20-13(9)10/h6-7,12,17H,4-5,8,16H2,1-3H3
InChIKeyJZEQXSMCXMAUEC-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.47
Rot. Bonds5

About [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine

[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 105332467) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID105332467
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1cc(Cl)cc2c1OCC2)NN)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,21(3,18)19)12(17-16)8-10-7-11(15)6-9-4-5-20-13(9)10/h6-7,12,17H,4-5,8,16H2,1-3H3
InChIKeyJZEQXSMCXMAUEC-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.47
H-Bond Donors ≤ 52
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

[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215670
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105031458
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116758088
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 105031396
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-amine
CID 105031668
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-ethylcyclopentyl)ethyl]hydrazine
CID 105332432
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831346
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-ol
CID 115830884
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244044

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine (CID 105332467) is [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine is CC(C)(C(Cc1cc(Cl)cc2c1OCC2)NN)S(C)(=O)=O.
What is the InChIKey of [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is JZEQXSMCXMAUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-14(2,21(3,18)19)12(17-16)8-10-7-11(15)6-9-4-5-20-13(9)10/h6-7,12,17H,4-5,8,16H2,1-3H3.
What are the key properties of [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 332.85 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 105332467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).