1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene

C18H15N3O4S — CID 20681782

IUPAC1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene
SMILESO=[N+]([O-])c1cc(OS(=O)Nc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C18H15N3O4S/c22-21(23)18-13-16(25-26(24)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H
InChIKeyQRDWLHLQFWZHPI-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.41
Rot. Bonds7

About 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene

1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene (PubChem CID 20681782) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene.

Molecular Properties

Compound Name1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene
PubChem CID20681782
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene
SMILESO=[N+]([O-])c1cc(OS(=O)Nc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C18H15N3O4S/c22-21(23)18-13-16(25-26(24)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H
InChIKeyQRDWLHLQFWZHPI-UHFFFAOYSA-N
XLogP4.41
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
CID 54070021
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
4-anilino-3-nitrobenzoic acid
CID 3824366
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
4-anilino-N-[4-(cyanomethoxy)phenyl]-3-nitrobenzamide
CID 24674135
4,5-dichloro-2-nitro-N-phenylaniline
CID 12930158
N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704
2,4-dinitro-N-(4-phenylmethoxyphenyl)aniline
CID 4947500
5-chloro-2,4-dinitro-N-phenylaniline
CID 22749530
4-anilino-N-ethoxy-3-nitrobenzamide
CID 18169038

Frequently Asked Questions

What is the IUPAC name of 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene?
The IUPAC name of 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene (CID 20681782) is 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene.
What is the SMILES notation for 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene?
The canonical SMILES for 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene is O=[N+]([O-])c1cc(OS(=O)Nc2ccccc2)ccc1Nc1ccccc1.
What is the InChIKey of 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene?
The InChIKey is QRDWLHLQFWZHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(25-26(24)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H.
What are the key properties of 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene?
1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene has a molecular weight of 369.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene is sourced from PubChem (CID 20681782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).