N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide

C19H15N4O4S- — CID 143631303

IUPACN-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide
SMILESO=Nc1ccc(NC(=O)c2cccc(S(=O)Nc3cccc(N[O-])c3)c2)cc1
InChIInChI=1S/C19H15N4O4S/c24-19(20-14-7-9-15(21-25)10-8-14)13-3-1-6-18(11-13)28(27)23-17-5-2-4-16(12-17)22-26/h1-12,22-23H,(H,20,24)/q-1
InChIKeyHBGUFSFSFGKHGS-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.38
Rot. Bonds7

About N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide

N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide (PubChem CID 143631303) has the molecular formula C19H15N4O4S- and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide.

Molecular Properties

Compound NameN-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide
PubChem CID143631303
Molecular FormulaC19H15N4O4S-
Molecular Weight395.42 g/mol
Exact Mass395.08
IUPAC NameN-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide
SMILESO=Nc1ccc(NC(=O)c2cccc(S(=O)Nc3cccc(N[O-])c3)c2)cc1
InChIInChI=1S/C19H15N4O4S/c24-19(20-14-7-9-15(21-25)10-8-14)13-3-1-6-18(11-13)28(27)23-17-5-2-4-16(12-17)22-26/h1-12,22-23H,(H,20,24)/q-1
InChIKeyHBGUFSFSFGKHGS-UHFFFAOYSA-N
XLogP4.38
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 158849064
3-amino-N'-(4-nitrosophenyl)benzohydrazide
CID 5117289
N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide
CID 166899812
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
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CID 169354497
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CID 90105755
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CID 107022116

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide?
The IUPAC name of N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide (CID 143631303) is N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide.
What is the SMILES notation for N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide?
The canonical SMILES for N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide is O=Nc1ccc(NC(=O)c2cccc(S(=O)Nc3cccc(N[O-])c3)c2)cc1.
What is the InChIKey of N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide?
The InChIKey is HBGUFSFSFGKHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N4O4S/c24-19(20-14-7-9-15(21-25)10-8-14)13-3-1-6-18(11-13)28(27)23-17-5-2-4-16(12-17)22-26/h1-12,22-23H,(H,20,24)/q-1.
What are the key properties of N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide?
N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide has a molecular weight of 395.42 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrosophenyl)-3-[3-(oxidoamino)phenyl]sulfinamoylbenzamide is sourced from PubChem (CID 143631303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).