N-chloro-N-methylsulfonylmethanesulfonamide

C2H6ClNO4S2 — CID 13122216

IUPACN-chloro-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(Cl)S(C)(=O)=O
InChIInChI=1S/C2H6ClNO4S2/c1-9(5,6)4(3)10(2,7)8/h1-2H3
InChIKeyCQBRMBNRVGAXMN-UHFFFAOYSA-N
MW207.66 g/mol
LogP-0.64
Rot. Bonds2

About N-chloro-N-methylsulfonylmethanesulfonamide

N-chloro-N-methylsulfonylmethanesulfonamide (PubChem CID 13122216) has the molecular formula C2H6ClNO4S2 and a molecular weight of 207.66 g/mol. Its IUPAC name is N-chloro-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-chloro-N-methylsulfonylmethanesulfonamide
PubChem CID13122216
Molecular FormulaC2H6ClNO4S2
Molecular Weight207.66 g/mol
Exact Mass206.94
IUPAC NameN-chloro-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(Cl)S(C)(=O)=O
InChIInChI=1S/C2H6ClNO4S2/c1-9(5,6)4(3)10(2,7)8/h1-2H3
InChIKeyCQBRMBNRVGAXMN-UHFFFAOYSA-N
XLogP-0.64
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-chloro-N-methylsulfonylmethanesulfonamide (CID 13122216) is N-chloro-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-chloro-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-chloro-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(Cl)S(C)(=O)=O.
What is the InChIKey of N-chloro-N-methylsulfonylmethanesulfonamide?
The InChIKey is CQBRMBNRVGAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClNO4S2/c1-9(5,6)4(3)10(2,7)8/h1-2H3.
What are the key properties of N-chloro-N-methylsulfonylmethanesulfonamide?
N-chloro-N-methylsulfonylmethanesulfonamide has a molecular weight of 207.66 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 13122216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).