3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide

C10H11BrClF2NO4S — CID 103836915

IUPAC3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H11BrClF2NO4S/c1-19-9-6(11)2-5(12)3-8(9)20(17,18)15-4-7(16)10(13)14/h2-3,7,10,15-16H,4H2,1H3
InChIKeyITCWTTLZLVMLNE-UHFFFAOYSA-N
MW394.62 g/mol
LogP2.02
Rot. Bonds6

About 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide

3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide (PubChem CID 103836915) has the molecular formula C10H11BrClF2NO4S and a molecular weight of 394.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
PubChem CID103836915
Molecular FormulaC10H11BrClF2NO4S
Molecular Weight394.62 g/mol
Exact Mass392.92
IUPAC Name3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H11BrClF2NO4S/c1-19-9-6(11)2-5(12)3-8(9)20(17,18)15-4-7(16)10(13)14/h2-3,7,10,15-16H,4H2,1H3
InChIKeyITCWTTLZLVMLNE-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.62
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide 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 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide (CID 103836915) is 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
The InChIKey is ITCWTTLZLVMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF2NO4S/c1-19-9-6(11)2-5(12)3-8(9)20(17,18)15-4-7(16)10(13)14/h2-3,7,10,15-16H,4H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide has a molecular weight of 394.62 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 103836915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).