2-(Bis(methylsulfonyl)amino)benzothiazole

HCID 52278

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Basic information

CAS: 73713-84-5
Standard SMILES: CS(=O)(=O)N(c1nc2ccccc2s1)S(C)(=O)=O
InChIKey: KUFOUUCPSUHARX-UHFFFAOYSA-N
Molecular formula: C9H10N2O4S3
Average molar mass: 306.4 g/mol
Monoisotopic mass: 305.98027033

Names & identifiers

Preferred name: 2-(Bis(methylsulfonyl)amino)benzothiazole
IUPAC: N-(1,3-benzothiazol-2-yl)-N-methylsulfonylmethanesulfonamide
English name: N,N-Bis(methylsulfonyl)-2-benzothiazolamine
Molecular formula: C9H10N2O4S3
Molecular weight: 306.38

Names & synonyms

73713-84-5BENZOTHIAZOLE, 2-(BIS(METHYLSULFONYL)AMINO)-2-(Bis(methylsulfonyl)amino)benzothiazoleC4MVN539ABNSC-196195DTXSID60224023Benzothiazole, 2-[bis(methylsulfonyl)amino]-2-[Bis(methylsulfonyl)amino]benzothiazoleRefChem:197615DTXCID601465142-(N,N-Bis(methanesulfonyl)amino)benzothiazoleMethanesulfonamide, N-2-benzothiazolyl-N-(methylsulfonyl)-

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N,N-Bis(methylsulfonyl)-2-benzothiazolamine

2-[N,N-Bis(methanesulfonyl)amino]benzothiazoleNSC 196195NSC196195UNII-C4MVN539ABWLN: T56 BN DSJ CNSW1&SW1DS-007228N-(1,3-Benzothiazol-2-yl)-N-(methanesulfonyl)methanesulfonamide

Database identifiers

CAS: 73713-84-5
PubChem CID: 52278
DTXSID: DTXSID60224023
UNII: C4MVN539AB
Nikkaji: J65.533C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 129 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 473

Physicochemical properties

FDA UNII: 4 MVN539AB · C4MVN539AB

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