bromocyclopropane;1-bromocyclopropane-1-sulfonamide

C6H11Br2NO2S — CID 159824822

IUPACbromocyclopropane;1-bromocyclopropane-1-sulfonamide
SMILESBrC1CC1.NS(=O)(=O)C1(Br)CC1
InChIInChI=1S/C3H6BrNO2S.C3H5Br/c4-3(1-2-3)8(5,6)7;4-3-1-2-3/h1-2H2,(H2,5,6,7);3H,1-2H2
InChIKeyNMRXBQBKUPRLRB-UHFFFAOYSA-N
MW321.03 g/mol
LogP1.70
Rot. Bonds1

About bromocyclopropane;1-bromocyclopropane-1-sulfonamide

bromocyclopropane;1-bromocyclopropane-1-sulfonamide (PubChem CID 159824822) has the molecular formula C6H11Br2NO2S and a molecular weight of 321.03 g/mol. Its IUPAC name is bromocyclopropane;1-bromocyclopropane-1-sulfonamide.

Molecular Properties

Compound Namebromocyclopropane;1-bromocyclopropane-1-sulfonamide
PubChem CID159824822
Molecular FormulaC6H11Br2NO2S
Molecular Weight321.03 g/mol
Exact Mass318.89
IUPAC Namebromocyclopropane;1-bromocyclopropane-1-sulfonamide
SMILESBrC1CC1.NS(=O)(=O)C1(Br)CC1
InChIInChI=1S/C3H6BrNO2S.C3H5Br/c4-3(1-2-3)8(5,6)7;4-3-1-2-3/h1-2H2,(H2,5,6,7);3H,1-2H2
InChIKeyNMRXBQBKUPRLRB-UHFFFAOYSA-N
XLogP1.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.03
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromocyclopropane;1-bromocyclopropane-1-sulfonamide?
The IUPAC name of bromocyclopropane;1-bromocyclopropane-1-sulfonamide (CID 159824822) is bromocyclopropane;1-bromocyclopropane-1-sulfonamide.
What is the SMILES notation for bromocyclopropane;1-bromocyclopropane-1-sulfonamide?
The canonical SMILES for bromocyclopropane;1-bromocyclopropane-1-sulfonamide is BrC1CC1.NS(=O)(=O)C1(Br)CC1.
What is the InChIKey of bromocyclopropane;1-bromocyclopropane-1-sulfonamide?
The InChIKey is NMRXBQBKUPRLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrNO2S.C3H5Br/c4-3(1-2-3)8(5,6)7;4-3-1-2-3/h1-2H2,(H2,5,6,7);3H,1-2H2.
What are the key properties of bromocyclopropane;1-bromocyclopropane-1-sulfonamide?
bromocyclopropane;1-bromocyclopropane-1-sulfonamide has a molecular weight of 321.03 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromocyclopropane;1-bromocyclopropane-1-sulfonamide is sourced from PubChem (CID 159824822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).