N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide

C11H10Br2N2O2S2 — CID 79988514

IUPACN-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N)cc2Br)sc1Br
InChIInChI=1S/C11H10Br2N2O2S2/c1-6-4-10(18-11(6)13)19(16,17)15-9-3-2-7(14)5-8(9)12/h2-5,15H,14H2,1H3
InChIKeyFDKYJRDQMGSLLL-UHFFFAOYSA-N
MW426.16 g/mol
LogP3.96
Rot. Bonds3

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

N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 79988514) has the molecular formula C11H10Br2N2O2S2 and a molecular weight of 426.16 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID79988514
Molecular FormulaC11H10Br2N2O2S2
Molecular Weight426.16 g/mol
Exact Mass423.86
IUPAC NameN-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N)cc2Br)sc1Br
InChIInChI=1S/C11H10Br2N2O2S2/c1-6-4-10(18-11(6)13)19(16,17)15-9-3-2-7(14)5-8(9)12/h2-5,15H,14H2,1H3
InChIKeyFDKYJRDQMGSLLL-UHFFFAOYSA-N
XLogP3.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.16
LogP ≤ 53.96
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

N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988390
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998829
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016998
N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
CID 155858477
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 81310728

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide (CID 79988514) is N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N)cc2Br)sc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is FDKYJRDQMGSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O2S2/c1-6-4-10(18-11(6)13)19(16,17)15-9-3-2-7(14)5-8(9)12/h2-5,15H,14H2,1H3.
What are the key properties of N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 426.16 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79988514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).