diazene;ethane;N-phenylmethanesulfonamide

C11H23N3O2S — CID 164925961

IUPACdiazene;ethane;N-phenylmethanesulfonamide
SMILESCC.CC.CS(=O)(=O)Nc1ccccc1.[H]/N=N/[H]
InChIInChI=1S/C7H9NO2S.2C2H6.H2N2/c1-11(9,10)8-7-5-3-2-4-6-7;3*1-2/h2-6,8H,1H3;2*1-2H3;1-2H/b;;;2-1+
InChIKeyOMSZTLJQBMHSJO-FFWMQHKVSA-N
MW261.39 g/mol
LogP3.71
Rot. Bonds2

About diazene;ethane;N-phenylmethanesulfonamide

diazene;ethane;N-phenylmethanesulfonamide (PubChem CID 164925961) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is diazene;ethane;N-phenylmethanesulfonamide.

Molecular Properties

Compound Namediazene;ethane;N-phenylmethanesulfonamide
PubChem CID164925961
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Namediazene;ethane;N-phenylmethanesulfonamide
SMILESCC.CC.CS(=O)(=O)Nc1ccccc1.[H]/N=N/[H]
InChIInChI=1S/C7H9NO2S.2C2H6.H2N2/c1-11(9,10)8-7-5-3-2-4-6-7;3*1-2/h2-6,8H,1H3;2*1-2H3;1-2H/b;;;2-1+
InChIKeyOMSZTLJQBMHSJO-FFWMQHKVSA-N
XLogP3.71
TPSA93.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

CID 23176875
CID 23176875
aniline;N-phenylmethanesulfonamide
CID 157318284
N-[4-(N-phenylanilino)phenyl]methanesulfonamide
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ethane;N-(methylsulfamoyl)aniline
CID 91119809
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
CID 90390717
CID 90390717
1,1,1-tribromo-N-phenylmethanesulfonamide
CID 23576861
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138
benzene;(sulfamoylamino)benzene
CID 174742453
phenylsulfamic acid
CID 160771078

Frequently Asked Questions

What is the IUPAC name of diazene;ethane;N-phenylmethanesulfonamide?
The IUPAC name of diazene;ethane;N-phenylmethanesulfonamide (CID 164925961) is diazene;ethane;N-phenylmethanesulfonamide.
What is the SMILES notation for diazene;ethane;N-phenylmethanesulfonamide?
The canonical SMILES for diazene;ethane;N-phenylmethanesulfonamide is CC.CC.CS(=O)(=O)Nc1ccccc1.[H]/N=N/[H].
What is the InChIKey of diazene;ethane;N-phenylmethanesulfonamide?
The InChIKey is OMSZTLJQBMHSJO-FFWMQHKVSA-N. The full InChI is InChI=1S/C7H9NO2S.2C2H6.H2N2/c1-11(9,10)8-7-5-3-2-4-6-7;3*1-2/h2-6,8H,1H3;2*1-2H3;1-2H/b;;;2-1+.
What are the key properties of diazene;ethane;N-phenylmethanesulfonamide?
diazene;ethane;N-phenylmethanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazene;ethane;N-phenylmethanesulfonamide is sourced from PubChem (CID 164925961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).