N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide

C18H24N2O6S — CID 155884597

IUPACN,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide
SMILESNN(CC1CO1)S(=O)(=O)c1ccc(CC2CO2)c(CC2CO2)c1CC1CO1
InChIInChI=1S/C18H24N2O6S/c19-20(6-15-10-26-15)27(21,22)18-2-1-11(3-12-7-23-12)16(4-13-8-24-13)17(18)5-14-9-25-14/h1-2,12-15H,3-10,19H2
InChIKeyJMPOYPHVZJKTET-UHFFFAOYSA-N
MW396.47 g/mol
LogP-0.23
Rot. Bonds10

About N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide

N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide (PubChem CID 155884597) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide
PubChem CID155884597
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC NameN,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide
SMILESNN(CC1CO1)S(=O)(=O)c1ccc(CC2CO2)c(CC2CO2)c1CC1CO1
InChIInChI=1S/C18H24N2O6S/c19-20(6-15-10-26-15)27(21,22)18-2-1-11(3-12-7-23-12)16(4-13-8-24-13)17(18)5-14-9-25-14/h1-2,12-15H,3-10,19H2
InChIKeyJMPOYPHVZJKTET-UHFFFAOYSA-N
XLogP-0.23
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87240097
N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine
CID 118275272
2,3-bis(oxiran-2-ylmethyl)phenol
CID 19029836
3-[4-amino-2-(oxiran-2-ylmethyl)phenyl]sulfonyl-5-methyl-2,4,6-tris(oxiran-2-ylmethyl)aniline
CID 118105046
2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine
CID 23126170
N-[[2-[[bis(oxiran-2-ylmethyl)amino]methyl]phenyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 18620359
2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane
CID 174458994
2,4-difluoro-5-(oxiran-2-ylmethyl)benzenesulfonic acid
CID 87564325
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
4-amino-3,5-dibromo-N,N-bis[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 1125524
2,3-bis(oxiran-2-ylmethyl)naphthalene-1,6-diol
CID 19985630
(Z)-2-methyl-3-[2,3,4,5-tetrakis(oxiran-2-ylmethyl)phenyl]but-2-enediamide
CID 88734816

Frequently Asked Questions

What is the IUPAC name of N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide?
The IUPAC name of N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide (CID 155884597) is N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide.
What is the SMILES notation for N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide?
The canonical SMILES for N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide is NN(CC1CO1)S(=O)(=O)c1ccc(CC2CO2)c(CC2CO2)c1CC1CO1.
What is the InChIKey of N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide?
The InChIKey is JMPOYPHVZJKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c19-20(6-15-10-26-15)27(21,22)18-2-1-11(3-12-7-23-12)16(4-13-8-24-13)17(18)5-14-9-25-14/h1-2,12-15H,3-10,19H2.
What are the key properties of N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide?
N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide has a molecular weight of 396.47 g/mol, XLogP of -0.23, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4-tetrakis(oxiran-2-ylmethyl)benzenesulfonohydrazide is sourced from PubChem (CID 155884597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).