N-(3-bromopropyl)propane-1-sulfonamide

C6H14BrNO2S — CID 43133754

IUPACN-(3-bromopropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCBr
InChIInChI=1S/C6H14BrNO2S/c1-2-6-11(9,10)8-5-3-4-7/h8H,2-6H2,1H3
InChIKeyDQTCNFCOFNHETB-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.10
Rot. Bonds6

About N-(3-bromopropyl)propane-1-sulfonamide

N-(3-bromopropyl)propane-1-sulfonamide (PubChem CID 43133754) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is N-(3-bromopropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)propane-1-sulfonamide
PubChem CID43133754
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC NameN-(3-bromopropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCBr
InChIInChI=1S/C6H14BrNO2S/c1-2-6-11(9,10)8-5-3-4-7/h8H,2-6H2,1H3
InChIKeyDQTCNFCOFNHETB-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)propane-1-sulfonamide?
The IUPAC name of N-(3-bromopropyl)propane-1-sulfonamide (CID 43133754) is N-(3-bromopropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)propane-1-sulfonamide?
The InChIKey is DQTCNFCOFNHETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-2-6-11(9,10)8-5-3-4-7/h8H,2-6H2,1H3.
What are the key properties of N-(3-bromopropyl)propane-1-sulfonamide?
N-(3-bromopropyl)propane-1-sulfonamide has a molecular weight of 244.15 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)propane-1-sulfonamide is sourced from PubChem (CID 43133754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).