N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide

C10H12BrF2NO2S — CID 104556434

IUPACN-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
SMILESCC(CBr)N(C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H12BrF2NO2S/c1-7(6-11)14(2)17(15,16)10-5-8(12)3-4-9(10)13/h3-5,7H,6H2,1-2H3
InChIKeyGZTWGJGWNXNVFX-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.37
Rot. Bonds4

About N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide

N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide (PubChem CID 104556434) has the molecular formula C10H12BrF2NO2S and a molecular weight of 328.18 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
PubChem CID104556434
Molecular FormulaC10H12BrF2NO2S
Molecular Weight328.18 g/mol
Exact Mass326.97
IUPAC NameN-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
SMILESCC(CBr)N(C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H12BrF2NO2S/c1-7(6-11)14(2)17(15,16)10-5-8(12)3-4-9(10)13/h3-5,7H,6H2,1-2H3
InChIKeyGZTWGJGWNXNVFX-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide 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-(2-bromoethyl)-2,5-difluoro-N-pentan-3-ylbenzenesulfonamide
CID 80675253
2-(3-bromo-2-methylpropyl)sulfonyl-1,4-difluorobenzene
CID 64995930
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide
CID 60516930
2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 94824462
N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
CID 60607549
N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
CID 104556414
5-(aminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112667435
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
2-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-5-nitrobenzenesulfonamide
CID 104553539
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645532

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide (CID 104556434) is N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide is CC(CBr)N(C)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide?
The InChIKey is GZTWGJGWNXNVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2S/c1-7(6-11)14(2)17(15,16)10-5-8(12)3-4-9(10)13/h3-5,7H,6H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide?
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide has a molecular weight of 328.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 104556434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).