2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide

C10H14F3N3O2S — CID 113327826

IUPAC2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)6-3-7-15-19(17,18)9-5-2-1-4-8(9)16-14/h1-2,4-5,15-16H,3,6-7,14H2
InChIKeySHPZMEWSIOBBLW-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.59
Rot. Bonds6

About 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide

2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide (PubChem CID 113327826) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
PubChem CID113327826
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)6-3-7-15-19(17,18)9-5-2-1-4-8(9)16-14/h1-2,4-5,15-16H,3,6-7,14H2
InChIKeySHPZMEWSIOBBLW-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115522029
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
CID 113287642
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
2-cyano-3-fluoro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486680
3-fluoro-2-nitro-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115663345
2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350502
2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60890269
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide (CID 113327826) is 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide is NNc1ccccc1S(=O)(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
The InChIKey is SHPZMEWSIOBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)6-3-7-15-19(17,18)9-5-2-1-4-8(9)16-14/h1-2,4-5,15-16H,3,6-7,14H2.
What are the key properties of 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide is sourced from PubChem (CID 113327826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).