N-(4-methylphenyl)sulfonylhexanehydrazide

C26H40N4O6S2 — CID 139038475

IUPACN-(4-methylphenyl)sulfonylhexanehydrazide
SMILESCCCCCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1.CCCCCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/2C13H20N2O3S/c2*1-3-4-5-6-13(16)15(14)19(17,18)12-9-7-11(2)8-10-12/h2*7-10H,3-6,14H2,1-2H3
InChIKeyINZLPBVLKANMDY-UHFFFAOYSA-N
MW568.76 g/mol
LogP3.93
Rot. Bonds12

About N-(4-methylphenyl)sulfonylhexanehydrazide

N-(4-methylphenyl)sulfonylhexanehydrazide (PubChem CID 139038475) has the molecular formula C26H40N4O6S2 and a molecular weight of 568.76 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylhexanehydrazide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylhexanehydrazide
PubChem CID139038475
Molecular FormulaC26H40N4O6S2
Molecular Weight568.76 g/mol
Exact Mass568.24
IUPAC NameN-(4-methylphenyl)sulfonylhexanehydrazide
SMILESCCCCCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1.CCCCCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/2C13H20N2O3S/c2*1-3-4-5-6-13(16)15(14)19(17,18)12-9-7-11(2)8-10-12/h2*7-10H,3-6,14H2,1-2H3
InChIKeyINZLPBVLKANMDY-UHFFFAOYSA-N
XLogP3.93
TPSA160.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.76
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

N-(4-methylphenyl)sulfonylhexanehydrazide
CID 102300698
4-methylbenzenesulfonic acid;octadecanamide
CID 174323507
1-butyl-1-(4-methylphenyl)sulfonylurea
CID 54549158
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
1-(4-methylphenyl)sulfonyl-1-methylsulfanyltridecan-2-one
CID 12957087
hexanoic acid;1,4-xylene
CID 23205671
2-hexadecanoyloxyethyl(trimethyl)azanium;4-methylbenzenesulfonate
CID 110188153
3-butyl-1-methoxy-1-(4-methylphenyl)sulfonylurea
CID 18368785

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylhexanehydrazide?
The IUPAC name of N-(4-methylphenyl)sulfonylhexanehydrazide (CID 139038475) is N-(4-methylphenyl)sulfonylhexanehydrazide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylhexanehydrazide?
The canonical SMILES for N-(4-methylphenyl)sulfonylhexanehydrazide is CCCCCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1.CCCCCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylhexanehydrazide?
The InChIKey is INZLPBVLKANMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N2O3S/c2*1-3-4-5-6-13(16)15(14)19(17,18)12-9-7-11(2)8-10-12/h2*7-10H,3-6,14H2,1-2H3.
What are the key properties of N-(4-methylphenyl)sulfonylhexanehydrazide?
N-(4-methylphenyl)sulfonylhexanehydrazide has a molecular weight of 568.76 g/mol, XLogP of 3.93, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylhexanehydrazide is sourced from PubChem (CID 139038475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).