N-methyl-2-nitrothiophene-3-sulfonamide

C5H6N2O4S2 — CID 71756053

IUPACN-methyl-2-nitrothiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1ccsc1[N+](=O)[O-]
InChIInChI=1S/C5H6N2O4S2/c1-6-13(10,11)4-2-3-12-5(4)7(8)9/h2-3,6H,1H3
InChIKeyJTBYFNZSHNXKIV-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.56
Rot. Bonds3

About N-methyl-2-nitrothiophene-3-sulfonamide

N-methyl-2-nitrothiophene-3-sulfonamide (PubChem CID 71756053) has the molecular formula C5H6N2O4S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-methyl-2-nitrothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-nitrothiophene-3-sulfonamide
PubChem CID71756053
Molecular FormulaC5H6N2O4S2
Molecular Weight222.25 g/mol
Exact Mass221.98
IUPAC NameN-methyl-2-nitrothiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1ccsc1[N+](=O)[O-]
InChIInChI=1S/C5H6N2O4S2/c1-6-13(10,11)4-2-3-12-5(4)7(8)9/h2-3,6H,1H3
InChIKeyJTBYFNZSHNXKIV-UHFFFAOYSA-N
XLogP0.56
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.56
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitrothiophene-3-sulfonamide?
The IUPAC name of N-methyl-2-nitrothiophene-3-sulfonamide (CID 71756053) is N-methyl-2-nitrothiophene-3-sulfonamide.
What is the SMILES notation for N-methyl-2-nitrothiophene-3-sulfonamide?
The canonical SMILES for N-methyl-2-nitrothiophene-3-sulfonamide is CNS(=O)(=O)c1ccsc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-nitrothiophene-3-sulfonamide?
The InChIKey is JTBYFNZSHNXKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4S2/c1-6-13(10,11)4-2-3-12-5(4)7(8)9/h2-3,6H,1H3.
What are the key properties of N-methyl-2-nitrothiophene-3-sulfonamide?
N-methyl-2-nitrothiophene-3-sulfonamide has a molecular weight of 222.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitrothiophene-3-sulfonamide is sourced from PubChem (CID 71756053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).