N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide

C7H14BrF2NO2S — CID 80672941

IUPACN-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCBr)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14BrF2NO2S/c1-6(2)11(5-3-4-8)14(12,13)7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyPJNYDZLWKAWMFS-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.03
Rot. Bonds6

About N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide

N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide (PubChem CID 80672941) has the molecular formula C7H14BrF2NO2S and a molecular weight of 294.16 g/mol. Its IUPAC name is N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
PubChem CID80672941
Molecular FormulaC7H14BrF2NO2S
Molecular Weight294.16 g/mol
Exact Mass292.99
IUPAC NameN-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCBr)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14BrF2NO2S/c1-6(2)11(5-3-4-8)14(12,13)7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyPJNYDZLWKAWMFS-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide 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-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide (CID 80672941) is N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCBr)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The InChIKey is PJNYDZLWKAWMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrF2NO2S/c1-6(2)11(5-3-4-8)14(12,13)7(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide has a molecular weight of 294.16 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 80672941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).