N-chloro-N-methylmethanesulfonamide

C2H6ClNO2S — CID 22136679

IUPACN-chloro-N-methylmethanesulfonamide
SMILESCN(Cl)S(C)(=O)=O
InChIInChI=1S/C2H6ClNO2S/c1-4(3)7(2,5)6/h1-2H3
InChIKeyBJROGRNTZROCLR-UHFFFAOYSA-N
MW143.59 g/mol
LogP0.03
Rot. Bonds1

About N-chloro-N-methylmethanesulfonamide

N-chloro-N-methylmethanesulfonamide (PubChem CID 22136679) has the molecular formula C2H6ClNO2S and a molecular weight of 143.59 g/mol. Its IUPAC name is N-chloro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-chloro-N-methylmethanesulfonamide
PubChem CID22136679
Molecular FormulaC2H6ClNO2S
Molecular Weight143.59 g/mol
Exact Mass142.98
IUPAC NameN-chloro-N-methylmethanesulfonamide
SMILESCN(Cl)S(C)(=O)=O
InChIInChI=1S/C2H6ClNO2S/c1-4(3)7(2,5)6/h1-2H3
InChIKeyBJROGRNTZROCLR-UHFFFAOYSA-N
XLogP0.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.59
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-chloro-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methylmethanesulfonamide?
The IUPAC name of N-chloro-N-methylmethanesulfonamide (CID 22136679) is N-chloro-N-methylmethanesulfonamide.
What is the SMILES notation for N-chloro-N-methylmethanesulfonamide?
The canonical SMILES for N-chloro-N-methylmethanesulfonamide is CN(Cl)S(C)(=O)=O.
What is the InChIKey of N-chloro-N-methylmethanesulfonamide?
The InChIKey is BJROGRNTZROCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClNO2S/c1-4(3)7(2,5)6/h1-2H3.
What are the key properties of N-chloro-N-methylmethanesulfonamide?
N-chloro-N-methylmethanesulfonamide has a molecular weight of 143.59 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methylmethanesulfonamide is sourced from PubChem (CID 22136679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).