N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide

C12H21N3O4S2 — CID 43455184

IUPACN-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NN
InChIInChI=1S/C12H21N3O4S2/c1-5-9(2)15(3)21(18,19)12-8-10(20(4,16)17)6-7-11(12)14-13/h6-9,14H,5,13H2,1-4H3
InChIKeyYHKQOTUTNLMPJV-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.79
Rot. Bonds6

About N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide

N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 43455184) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID43455184
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC NameN-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NN
InChIInChI=1S/C12H21N3O4S2/c1-5-9(2)15(3)21(18,19)12-8-10(20(4,16)17)6-7-11(12)14-13/h6-9,14H,5,13H2,1-4H3
InChIKeyYHKQOTUTNLMPJV-UHFFFAOYSA-N
XLogP0.79
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
CID 62143236
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
CID 62142912
2-hydrazinyl-N-(2-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 102699204
2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 115776360
2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
CID 43571193
(2-bromo-4-methylsulfonylphenyl)hydrazine
CID 2761068
2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
CID 61036669
N-butan-2-yl-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43454763
4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride
CID 43273019
2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
CID 62150190
2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
CID 43272487

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide (CID 43455184) is N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide is CCC(C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NN.
What is the InChIKey of N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is YHKQOTUTNLMPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-5-9(2)15(3)21(18,19)12-8-10(20(4,16)17)6-7-11(12)14-13/h6-9,14H,5,13H2,1-4H3.
What are the key properties of N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 43455184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).