N-hexan-3-yl-2-hydrazinylbenzenesulfonamide

C12H21N3O2S — CID 62117288

IUPACN-hexan-3-yl-2-hydrazinylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C12H21N3O2S/c1-3-7-10(4-2)15-18(16,17)12-9-6-5-8-11(12)14-13/h5-6,8-10,14-15H,3-4,7,13H2,1-2H3
InChIKeySOQGXDPFTYNRPP-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.83
Rot. Bonds7

About N-hexan-3-yl-2-hydrazinylbenzenesulfonamide

N-hexan-3-yl-2-hydrazinylbenzenesulfonamide (PubChem CID 62117288) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-hexan-3-yl-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-hexan-3-yl-2-hydrazinylbenzenesulfonamide
PubChem CID62117288
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-hexan-3-yl-2-hydrazinylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C12H21N3O2S/c1-3-7-10(4-2)15-18(16,17)12-9-6-5-8-11(12)14-13/h5-6,8-10,14-15H,3-4,7,13H2,1-2H3
InChIKeySOQGXDPFTYNRPP-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
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

2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 62119141
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-(1-cyclohexylpropyl)-2-hydrazinylbenzenesulfonamide
CID 62405804
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 62094388
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-hexan-3-yl-2-hydrazinylbenzenesulfonamide (CID 62117288) is N-hexan-3-yl-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-hexan-3-yl-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-hexan-3-yl-2-hydrazinylbenzenesulfonamide is CCCC(CC)NS(=O)(=O)c1ccccc1NN.
What is the InChIKey of N-hexan-3-yl-2-hydrazinylbenzenesulfonamide?
The InChIKey is SOQGXDPFTYNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-7-10(4-2)15-18(16,17)12-9-6-5-8-11(12)14-13/h5-6,8-10,14-15H,3-4,7,13H2,1-2H3.
What are the key properties of N-hexan-3-yl-2-hydrazinylbenzenesulfonamide?
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 62117288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).