N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride

C4H3ClN2O3S2 — CID 141229442

IUPACN-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride
SMILESO=C(Cl)NS(=O)(=O)c1cncs1
InChIInChI=1S/C4H3ClN2O3S2/c5-4(8)7-12(9,10)3-1-6-2-11-3/h1-2H,(H,7,8)
InChIKeyMAWPDAWZVHQGLP-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.78
Rot. Bonds2

About N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride

N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride (PubChem CID 141229442) has the molecular formula C4H3ClN2O3S2 and a molecular weight of 226.67 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride
PubChem CID141229442
Molecular FormulaC4H3ClN2O3S2
Molecular Weight226.67 g/mol
Exact Mass225.93
IUPAC NameN-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride
SMILESO=C(Cl)NS(=O)(=O)c1cncs1
InChIInChI=1S/C4H3ClN2O3S2/c5-4(8)7-12(9,10)3-1-6-2-11-3/h1-2H,(H,7,8)
InChIKeyMAWPDAWZVHQGLP-UHFFFAOYSA-N
XLogP0.78
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride?
The IUPAC name of N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride (CID 141229442) is N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride.
What is the SMILES notation for N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride?
The canonical SMILES for N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride is O=C(Cl)NS(=O)(=O)c1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride?
The InChIKey is MAWPDAWZVHQGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O3S2/c5-4(8)7-12(9,10)3-1-6-2-11-3/h1-2H,(H,7,8).
What are the key properties of N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride?
N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride has a molecular weight of 226.67 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylsulfonyl)carbamoyl chloride is sourced from PubChem (CID 141229442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).