N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide

C5H7NO5S3 — CID 90285354

IUPACN-hydroxy-5-methylsulfonylthiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NO)s1
InChIInChI=1S/C5H7NO5S3/c1-13(8,9)4-2-3-5(12-4)14(10,11)6-7/h2-3,6-7H,1H3
InChIKeyCQXILSQMAKQKBL-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.18
Rot. Bonds3

About N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide

N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide (PubChem CID 90285354) has the molecular formula C5H7NO5S3 and a molecular weight of 257.31 g/mol. Its IUPAC name is N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-5-methylsulfonylthiophene-2-sulfonamide
PubChem CID90285354
Molecular FormulaC5H7NO5S3
Molecular Weight257.31 g/mol
Exact Mass256.95
IUPAC NameN-hydroxy-5-methylsulfonylthiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NO)s1
InChIInChI=1S/C5H7NO5S3/c1-13(8,9)4-2-3-5(12-4)14(10,11)6-7/h2-3,6-7H,1H3
InChIKeyCQXILSQMAKQKBL-UHFFFAOYSA-N
XLogP-0.18
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide?
The IUPAC name of N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide (CID 90285354) is N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide.
What is the SMILES notation for N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide?
The canonical SMILES for N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)NO)s1.
What is the InChIKey of N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide?
The InChIKey is CQXILSQMAKQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5S3/c1-13(8,9)4-2-3-5(12-4)14(10,11)6-7/h2-3,6-7H,1H3.
What are the key properties of N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide?
N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methylsulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 90285354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).