N-bromomethanesulfonamide

CH4BrNO2S — CID 57476830

IUPACN-bromomethanesulfonamide
SMILESCS(=O)(=O)NBr
InChIInChI=1S/CH4BrNO2S/c1-6(4,5)3-2/h3H,1H3
InChIKeyCKMUPXDCQOLZHF-UHFFFAOYSA-N
MW174.02 g/mol
LogP-0.15
Rot. Bonds1

About N-bromomethanesulfonamide

N-bromomethanesulfonamide (PubChem CID 57476830) has the molecular formula CH4BrNO2S and a molecular weight of 174.02 g/mol. Its IUPAC name is N-bromomethanesulfonamide.

Molecular Properties

Compound NameN-bromomethanesulfonamide
PubChem CID57476830
Molecular FormulaCH4BrNO2S
Molecular Weight174.02 g/mol
Exact Mass172.91
IUPAC NameN-bromomethanesulfonamide
SMILESCS(=O)(=O)NBr
InChIInChI=1S/CH4BrNO2S/c1-6(4,5)3-2/h3H,1H3
InChIKeyCKMUPXDCQOLZHF-UHFFFAOYSA-N
XLogP-0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.02
LogP ≤ 5-0.15
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-bromomethanesulfonamide?
The IUPAC name of N-bromomethanesulfonamide (CID 57476830) is N-bromomethanesulfonamide.
What is the SMILES notation for N-bromomethanesulfonamide?
The canonical SMILES for N-bromomethanesulfonamide is CS(=O)(=O)NBr.
What is the InChIKey of N-bromomethanesulfonamide?
The InChIKey is CKMUPXDCQOLZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4BrNO2S/c1-6(4,5)3-2/h3H,1H3.
What are the key properties of N-bromomethanesulfonamide?
N-bromomethanesulfonamide has a molecular weight of 174.02 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromomethanesulfonamide is sourced from PubChem (CID 57476830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).