N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide

C14H14N4O4S — CID 59847237

IUPACN-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)ccc1/N=N/c1cccc(SOOO)c1
InChIInChI=1S/C14H14N4O4S/c1-9(19)16-14-7-10(15)5-6-13(14)18-17-11-3-2-4-12(8-11)23-22-21-20/h2-8,20H,15H2,1H3,(H,16,19)/b18-17+
InChIKeyGCGOHCURWDZTQD-ISLYRVAYSA-N
MW334.36 g/mol
LogP4.07
Rot. Bonds6

About N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide

N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide (PubChem CID 59847237) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide
PubChem CID59847237
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)ccc1/N=N/c1cccc(SOOO)c1
InChIInChI=1S/C14H14N4O4S/c1-9(19)16-14-7-10(15)5-6-13(14)18-17-11-3-2-4-12(8-11)23-22-21-20/h2-8,20H,15H2,1H3,(H,16,19)/b18-17+
InChIKeyGCGOHCURWDZTQD-ISLYRVAYSA-N
XLogP4.07
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
3-[[4-[[4-[3-acetamido-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]anilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-(methoxymethylamino)phenyl]diazenyl]benzenesulfonic acid
CID 58759166
7-[[4-amino-2-(carbamoylamino)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid
CID 20764585
N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide
CID 71385265
(2-ethoxy-5-methylphenyl)-[4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalen-1-yl]diazene
CID 59994800
N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide
CID 29045
4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride
CID 170924083
N-[5-(methylamino)-2-[(2-methylphenyl)diazenyl]phenyl]acetamide;1-methylsulfonyl-2-(trioxidanylsulfanyloxy)ethane
CID 90949729
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 21343265
N-[2-[(4,8-dimethylnaphthalen-2-yl)diazenyl]-5-(methylamino)phenyl]acetamide
CID 59779304
butyl 3-[[2-acetamido-4-(2-cyanoethylamino)phenyl]diazenyl]benzoate
CID 15218269

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide (CID 59847237) is N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide is CC(=O)Nc1cc(N)ccc1/N=N/c1cccc(SOOO)c1.
What is the InChIKey of N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide?
The InChIKey is GCGOHCURWDZTQD-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-9(19)16-14-7-10(15)5-6-13(14)18-17-11-3-2-4-12(8-11)23-22-21-20/h2-8,20H,15H2,1H3,(H,16,19)/b18-17+.
What are the key properties of N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide?
N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide has a molecular weight of 334.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 59847237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).