4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C12H14BrFN2O3S — CID 103697572

IUPAC4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H14BrFN2O3S/c1-19-8-7-16(6-2-5-15)20(17,18)10-3-4-11(13)12(14)9-10/h3-4,9H,2,6-8H2,1H3
InChIKeyVQVSSPUCIOMEFP-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.14
Rot. Bonds7

About 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide

4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 103697572) has the molecular formula C12H14BrFN2O3S and a molecular weight of 365.22 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID103697572
Molecular FormulaC12H14BrFN2O3S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H14BrFN2O3S/c1-19-8-7-16(6-2-5-15)20(17,18)10-3-4-11(13)12(14)9-10/h3-4,9H,2,6-8H2,1H3
InChIKeyVQVSSPUCIOMEFP-UHFFFAOYSA-N
XLogP2.14
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide 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

5-amino-2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 65206601
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
4-bromo-N-(1-cyanopropan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 71997631
N-(2-cyanoethyl)-N-ethyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82839672
3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
4-amino-N,N-bis(2-cyanoethyl)-3-methoxybenzenesulfonamide
CID 81440816
4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618347
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
4-amino-3,5-dibromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 54465252

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 103697572) is 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCN(CCC#N)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is VQVSSPUCIOMEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O3S/c1-19-8-7-16(6-2-5-15)20(17,18)10-3-4-11(13)12(14)9-10/h3-4,9H,2,6-8H2,1H3.
What are the key properties of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 365.22 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 103697572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).