N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide

C12H20N4O4S — CID 82847825

IUPACN-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O4S/c1-3-4-5-9(2)15-21(19,20)10-6-7-12(16(17)18)11(8-10)14-13/h6-9,14-15H,3-5,13H2,1-2H3
InChIKeyWKHXMDYBZDTBSZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.74
Rot. Bonds8

About N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide

N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide (PubChem CID 82847825) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
PubChem CID82847825
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O4S/c1-3-4-5-9(2)15-21(19,20)10-6-7-12(16(17)18)11(8-10)14-13/h6-9,14-15H,3-5,13H2,1-2H3
InChIKeyWKHXMDYBZDTBSZ-UHFFFAOYSA-N
XLogP1.74
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64605293
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704
3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 82847669
4-fluoro-N-hexan-2-yl-3-methyl-5-nitrobenzenesulfonamide
CID 115421952
3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 82847527
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
3-amino-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 82847707
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
2-nitro-N-octan-2-ylbenzenesulfonamide
CID 19684217
N-hexan-2-yl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62199906

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide (CID 82847825) is N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide?
The InChIKey is WKHXMDYBZDTBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-4-5-9(2)15-21(19,20)10-6-7-12(16(17)18)11(8-10)14-13/h6-9,14-15H,3-5,13H2,1-2H3.
What are the key properties of N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide?
N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82847825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).