n-Propyl-1,3-benzothiazole-2-sulfonamide

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Basic information

CAS: 2655-43-8
Standard SMILES: CCCNS(=O)(=O)c1nc2ccccc2s1
InChIKey: LAEBSBMASHSXMZ-UHFFFAOYSA-N
Molecular formula: C10H12N2O2S2
Average molar mass: 256.3 g/mol
Monoisotopic mass: 256.03401998

Names & identifiers

Preferred name: n-Propyl-1,3-benzothiazole-2-sulfonamide
IUPAC: N-propyl-1,3-benzothiazole-2-sulfonamide
English name: N-propylbenzothiazole-2-sulfonamide
Molecular formula: C10H12N2O2S2
Molecular weight: 256.34

Names & synonyms

2655-43-8n-propyl-1,3-benzothiazole-2-sulfonamideNSC49130DTXSID00949400NSC-49130N-propylbenzothiazole-2-sulfonamide2-Benzothiazolesulfonamide, N-propyl-

Database identifiers

CAS: 2655-43-8
PubChem CID: 241586
DTXSID: DTXSID00949400
Nikkaji: J3.157.881G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 95.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 326

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Compound notes

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