N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide

C14H11BrF3NO3S — CID 66729400

IUPACN-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cccc(Br)c1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrF3NO3S/c1-22-8-19(12-4-2-3-10(15)14(12)18)23(20,21)13-7-9(16)5-6-11(13)17/h2-7H,8H2,1H3
InChIKeyMTVDLHWQIKSRBH-UHFFFAOYSA-N
MW410.21 g/mol
LogP3.67
Rot. Bonds5

About N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide

N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide (PubChem CID 66729400) has the molecular formula C14H11BrF3NO3S and a molecular weight of 410.21 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
PubChem CID66729400
Molecular FormulaC14H11BrF3NO3S
Molecular Weight410.21 g/mol
Exact Mass408.96
IUPAC NameN-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cccc(Br)c1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrF3NO3S/c1-22-8-19(12-4-2-3-10(15)14(12)18)23(20,21)13-7-9(16)5-6-11(13)17/h2-7H,8H2,1H3
InChIKeyMTVDLHWQIKSRBH-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide 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-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide (CID 66729400) is N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide is COCN(c1cccc(Br)c1F)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is MTVDLHWQIKSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO3S/c1-22-8-19(12-4-2-3-10(15)14(12)18)23(20,21)13-7-9(16)5-6-11(13)17/h2-7H,8H2,1H3.
What are the key properties of N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 410.21 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 66729400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).