[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine

C11H17BrN2O2S — CID 105284414

IUPAC[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1ccc(Br)cc1)NN)S(C)(=O)=O
InChIInChI=1S/C11H17BrN2O2S/c1-8(17(2,15)16)11(14-13)7-9-3-5-10(12)6-4-9/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyWQRNAUXMSNQSPE-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.26
Rot. Bonds5

About [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine

[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 105284414) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID105284414
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1ccc(Br)cc1)NN)S(C)(=O)=O
InChIInChI=1S/C11H17BrN2O2S/c1-8(17(2,15)16)11(14-13)7-9-3-5-10(12)6-4-9/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyWQRNAUXMSNQSPE-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 103044368
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272881
[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105316531
1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105036373
[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105318176
1,2-bis(4-bromophenyl)ethylhydrazine
CID 105192515
1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
CID 63560195
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105320678
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine (CID 105284414) is [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine is CC(C(Cc1ccc(Br)cc1)NN)S(C)(=O)=O.
What is the InChIKey of [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is WQRNAUXMSNQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8(17(2,15)16)11(14-13)7-9-3-5-10(12)6-4-9/h3-6,8,11,14H,7,13H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 321.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 105284414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).