5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride

C11H10ClN3O5S — CID 3058875

IUPAC5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C11H9N3O5S.ClH/c12-11(13)9-5-6-10(19-9)20(17,18)8-3-1-7(2-4-8)14(15)16;/h1-6H,(H3,12,13);1H
InChIKeyWGRNSFGWCBTSAJ-UHFFFAOYSA-N
MW331.74 g/mol
LogP1.73
Rot. Bonds4

About 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride

5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride (PubChem CID 3058875) has the molecular formula C11H10ClN3O5S and a molecular weight of 331.74 g/mol. Its IUPAC name is 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride
PubChem CID3058875
Molecular FormulaC11H10ClN3O5S
Molecular Weight331.74 g/mol
Exact Mass331.00
IUPAC Name5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C11H9N3O5S.ClH/c12-11(13)9-5-6-10(19-9)20(17,18)8-3-1-7(2-4-8)14(15)16;/h1-6H,(H3,12,13);1H
InChIKeyWGRNSFGWCBTSAJ-UHFFFAOYSA-N
XLogP1.73
TPSA140.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride
CID 3058877
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683
2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-oxazole
CID 67718718
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
CID 86219799
CID 86219799
1,2,4-trichloro-5-(4-nitrophenyl)sulfonylbenzene
CID 2801604
4-nitrobenzenesulfonic acid
CID 160847002
cesium 4-nitrobenzenesulfonate
CID 101283504
2-chloro-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 62948556
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride?
The IUPAC name of 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride (CID 3058875) is 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride?
The InChIKey is WGRNSFGWCBTSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S.ClH/c12-11(13)9-5-6-10(19-9)20(17,18)8-3-1-7(2-4-8)14(15)16;/h1-6H,(H3,12,13);1H.
What are the key properties of 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride?
5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride has a molecular weight of 331.74 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride is sourced from PubChem (CID 3058875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).