N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide

C11H10BrFN2O2S2 — CID 81310728

IUPACN-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(N)cccc2F)sc1Br
InChIInChI=1S/C11H10BrFN2O2S2/c1-6-5-9(18-11(6)12)19(16,17)15-10-7(13)3-2-4-8(10)14/h2-5,15H,14H2,1H3
InChIKeyLEVAAIGQSGWFLG-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.34
Rot. Bonds3

About N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide

N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 81310728) has the molecular formula C11H10BrFN2O2S2 and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID81310728
Molecular FormulaC11H10BrFN2O2S2
Molecular Weight365.25 g/mol
Exact Mass363.94
IUPAC NameN-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(N)cccc2F)sc1Br
InChIInChI=1S/C11H10BrFN2O2S2/c1-6-5-9(18-11(6)12)19(16,17)15-10-7(13)3-2-4-8(10)14/h2-5,15H,14H2,1H3
InChIKeyLEVAAIGQSGWFLG-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 75356364
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
N-(2-amino-6-fluorophenyl)-3-bromobenzenesulfonamide
CID 81310122
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988514
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide (CID 81310728) is N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2c(N)cccc2F)sc1Br.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is LEVAAIGQSGWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2S2/c1-6-5-9(18-11(6)12)19(16,17)15-10-7(13)3-2-4-8(10)14/h2-5,15H,14H2,1H3.
What are the key properties of N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 365.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 81310728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).