5-chloro-4-nitrothiophene-2-sulfonic acid;silver

C4H2AgClNO5S2 — CID 76602645

IUPAC5-chloro-4-nitrothiophene-2-sulfonic acid;silver
SMILESO=[N+]([O-])c1cc(S(=O)(=O)O)sc1Cl.[Ag]
InChIInChI=1S/C4H2ClNO5S2.Ag/c5-4-2(6(7)8)1-3(12-4)13(9,10)11;/h1H,(H,9,10,11);
InChIKeyNWDGCNOOOMLZID-UHFFFAOYSA-N
MW351.52 g/mol
LogP1.55
Rot. Bonds2

About 5-chloro-4-nitrothiophene-2-sulfonic acid;silver

5-chloro-4-nitrothiophene-2-sulfonic acid;silver (PubChem CID 76602645) has the molecular formula C4H2AgClNO5S2 and a molecular weight of 351.52 g/mol. Its IUPAC name is 5-chloro-4-nitrothiophene-2-sulfonic acid;silver.

Molecular Properties

Compound Name5-chloro-4-nitrothiophene-2-sulfonic acid;silver
PubChem CID76602645
Molecular FormulaC4H2AgClNO5S2
Molecular Weight351.52 g/mol
Exact Mass349.81
IUPAC Name5-chloro-4-nitrothiophene-2-sulfonic acid;silver
SMILESO=[N+]([O-])c1cc(S(=O)(=O)O)sc1Cl.[Ag]
InChIInChI=1S/C4H2ClNO5S2.Ag/c5-4-2(6(7)8)1-3(12-4)13(9,10)11;/h1H,(H,9,10,11);
InChIKeyNWDGCNOOOMLZID-UHFFFAOYSA-N
XLogP1.55
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.55
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-nitrothiophene-2-sulfonamide
CID 2735782
5-ethyl-4-nitrothiophene-2-sulfonic acid
CID 87798792
1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106668722
(3R,4S)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 80742267
5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 10246315
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]pentanamide
CID 106235500
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
8-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 80735459
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
4,5-dichlorothiophene-2-sulfonic acid;hydrofluoride
CID 174546411

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitrothiophene-2-sulfonic acid;silver?
The IUPAC name of 5-chloro-4-nitrothiophene-2-sulfonic acid;silver (CID 76602645) is 5-chloro-4-nitrothiophene-2-sulfonic acid;silver.
What is the SMILES notation for 5-chloro-4-nitrothiophene-2-sulfonic acid;silver?
The canonical SMILES for 5-chloro-4-nitrothiophene-2-sulfonic acid;silver is O=[N+]([O-])c1cc(S(=O)(=O)O)sc1Cl.[Ag].
What is the InChIKey of 5-chloro-4-nitrothiophene-2-sulfonic acid;silver?
The InChIKey is NWDGCNOOOMLZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO5S2.Ag/c5-4-2(6(7)8)1-3(12-4)13(9,10)11;/h1H,(H,9,10,11);.
What are the key properties of 5-chloro-4-nitrothiophene-2-sulfonic acid;silver?
5-chloro-4-nitrothiophene-2-sulfonic acid;silver has a molecular weight of 351.52 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitrothiophene-2-sulfonic acid;silver is sourced from PubChem (CID 76602645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).