2-(4-nitrophenyl)sulfanyl-1H-pyrrole

C10H8N2O2S — CID 11481406

IUPAC2-(4-nitrophenyl)sulfanyl-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(Sc2ccc[nH]2)cc1
InChIInChI=1S/C10H8N2O2S/c13-12(14)8-3-5-9(6-4-8)15-10-2-1-7-11-10/h1-7,11H
InChIKeyRIHZMJNCIVVMKZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-nitrophenyl)sulfanyl-1H-pyrrole

2-(4-nitrophenyl)sulfanyl-1H-pyrrole (PubChem CID 11481406) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanyl-1H-pyrrole.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanyl-1H-pyrrole
PubChem CID11481406
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(4-nitrophenyl)sulfanyl-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(Sc2ccc[nH]2)cc1
InChIInChI=1S/C10H8N2O2S/c13-12(14)8-3-5-9(6-4-8)15-10-2-1-7-11-10/h1-7,11H
InChIKeyRIHZMJNCIVVMKZ-UHFFFAOYSA-N
XLogP3.07
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
1-tert-butyl-2-(4-nitrophenyl)sulfanylbenzene
CID 125465489
2,5-bis[(4-nitrophenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
CID 5161150
1,2,3,4,5-pentafluoro-6-(4-nitrophenyl)sulfanylbenzene
CID 4829641
1-nitro-4-[(4-nitrophenyl)tetrasulfanyl]benzene
CID 11090037
1,2-diethyl-4-(4-nitrophenyl)sulfanylbenzene
CID 91879901
[4-(4-nitrophenyl)sulfanylphenyl]methanol
CID 63835646
2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101089

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfanyl-1H-pyrrole?
The IUPAC name of 2-(4-nitrophenyl)sulfanyl-1H-pyrrole (CID 11481406) is 2-(4-nitrophenyl)sulfanyl-1H-pyrrole.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanyl-1H-pyrrole?
The canonical SMILES for 2-(4-nitrophenyl)sulfanyl-1H-pyrrole is O=[N+]([O-])c1ccc(Sc2ccc[nH]2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)sulfanyl-1H-pyrrole?
The InChIKey is RIHZMJNCIVVMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-12(14)8-3-5-9(6-4-8)15-10-2-1-7-11-10/h1-7,11H.
What are the key properties of 2-(4-nitrophenyl)sulfanyl-1H-pyrrole?
2-(4-nitrophenyl)sulfanyl-1H-pyrrole has a molecular weight of 220.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanyl-1H-pyrrole is sourced from PubChem (CID 11481406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).