N-(3-bromopropyl)-1,1-difluoromethanesulfonamide

C4H8BrF2NO2S — CID 43133757

IUPACN-(3-bromopropyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCBr)C(F)F
InChIInChI=1S/C4H8BrF2NO2S/c5-2-1-3-8-11(9,10)4(6)7/h4,8H,1-3H2
InChIKeyGUYWAWAEIZSQJQ-UHFFFAOYSA-N
MW252.08 g/mol
LogP0.91
Rot. Bonds5

About N-(3-bromopropyl)-1,1-difluoromethanesulfonamide

N-(3-bromopropyl)-1,1-difluoromethanesulfonamide (PubChem CID 43133757) has the molecular formula C4H8BrF2NO2S and a molecular weight of 252.08 g/mol. Its IUPAC name is N-(3-bromopropyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-1,1-difluoromethanesulfonamide
PubChem CID43133757
Molecular FormulaC4H8BrF2NO2S
Molecular Weight252.08 g/mol
Exact Mass250.94
IUPAC NameN-(3-bromopropyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCBr)C(F)F
InChIInChI=1S/C4H8BrF2NO2S/c5-2-1-3-8-11(9,10)4(6)7/h4,8H,1-3H2
InChIKeyGUYWAWAEIZSQJQ-UHFFFAOYSA-N
XLogP0.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 50.91
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'}

Analyze N-(3-bromopropyl)-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromopropyl)methanesulfonamide
CID 11218181
N-(2-bromoethyl)-1,1,1-trifluoromethanesulfonamide
CID 19081932
Methanesulfonamide, N-(3-bromopropyl)-1,1,1-trifluoro-
CID 87129730
2,3-Dibromopropan-1-amine;trifluoromethanesulfonic acid
CID 175588458
N-(2-bromoethyl)-1,1-difluoromethanesulfonamide
CID 43133706
N-(2-bromoethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058373
N-(3-bromopropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058511
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058543
N-(2-bromopropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059297
1-bromo-N-(2,2-difluoroethyl)methanesulfonamide
CID 83086502
1-bromo-N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 83086503
1-bromo-N-(5,5,5-trifluoropentyl)methanesulfonamide
CID 83086600

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-1,1-difluoromethanesulfonamide (CID 43133757) is N-(3-bromopropyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCCCBr)C(F)F.
What is the InChIKey of N-(3-bromopropyl)-1,1-difluoromethanesulfonamide?
The InChIKey is GUYWAWAEIZSQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrF2NO2S/c5-2-1-3-8-11(9,10)4(6)7/h4,8H,1-3H2.
What are the key properties of N-(3-bromopropyl)-1,1-difluoromethanesulfonamide?
N-(3-bromopropyl)-1,1-difluoromethanesulfonamide has a molecular weight of 252.08 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43133757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).