N-chloromethanesulfonamide

CH4ClNO2S — CID 11040876

IUPACN-chloromethanesulfonamide
SMILESCS(=O)(=O)NCl
InChIInChI=1S/CH4ClNO2S/c1-6(4,5)3-2/h3H,1H3
InChIKeyKFKMOYYBYVVHQQ-UHFFFAOYSA-N
MW129.57 g/mol
LogP-0.31
Rot. Bonds1

About N-chloromethanesulfonamide

N-chloromethanesulfonamide (PubChem CID 11040876) has the molecular formula CH4ClNO2S and a molecular weight of 129.57 g/mol. Its IUPAC name is N-chloromethanesulfonamide.

Molecular Properties

Compound NameN-chloromethanesulfonamide
PubChem CID11040876
Molecular FormulaCH4ClNO2S
Molecular Weight129.57 g/mol
Exact Mass128.97
IUPAC NameN-chloromethanesulfonamide
SMILESCS(=O)(=O)NCl
InChIInChI=1S/CH4ClNO2S/c1-6(4,5)3-2/h3H,1H3
InChIKeyKFKMOYYBYVVHQQ-UHFFFAOYSA-N
XLogP-0.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.57
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloromethanesulfonamide?
The IUPAC name of N-chloromethanesulfonamide (CID 11040876) is N-chloromethanesulfonamide.
What is the SMILES notation for N-chloromethanesulfonamide?
The canonical SMILES for N-chloromethanesulfonamide is CS(=O)(=O)NCl.
What is the InChIKey of N-chloromethanesulfonamide?
The InChIKey is KFKMOYYBYVVHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4ClNO2S/c1-6(4,5)3-2/h3H,1H3.
What are the key properties of N-chloromethanesulfonamide?
N-chloromethanesulfonamide has a molecular weight of 129.57 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloromethanesulfonamide is sourced from PubChem (CID 11040876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).