2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C13H14BrFN2O2S2 — CID 106056173

IUPAC2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)c(Br)s1
InChIInChI=1S/C13H14BrFN2O2S2/c1-8-5-9(3-4-11(8)15)17-21(18,19)12-6-10(7-16-2)20-13(12)14/h3-6,16-17H,7H2,1-2H3
InChIKeyPNTLDJRJKYTBRM-UHFFFAOYSA-N
MW393.30 g/mol
LogP3.48
Rot. Bonds5

About 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106056173) has the molecular formula C13H14BrFN2O2S2 and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106056173
Molecular FormulaC13H14BrFN2O2S2
Molecular Weight393.30 g/mol
Exact Mass391.97
IUPAC Name2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)c(Br)s1
InChIInChI=1S/C13H14BrFN2O2S2/c1-8-5-9(3-4-11(8)15)17-21(18,19)12-6-10(7-16-2)20-13(12)14/h3-6,16-17H,7H2,1-2H3
InChIKeyPNTLDJRJKYTBRM-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide 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

2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264
2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
CID 114134489
2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076838
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-bromo-4-[(3,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39825113
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142
2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106058681
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106056173) is 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)c(Br)s1.
What is the InChIKey of 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is PNTLDJRJKYTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2S2/c1-8-5-9(3-4-11(8)15)17-21(18,19)12-6-10(7-16-2)20-13(12)14/h3-6,16-17H,7H2,1-2H3.
What are the key properties of 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 393.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106056173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).