5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide

C10H8Br2N2O2S2 — CID 113267852

IUPAC5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2Br)sc1Br
InChIInChI=1S/C10H8Br2N2O2S2/c1-6-5-8(17-10(6)12)18(15,16)14-7-3-2-4-13-9(7)11/h2-5,14H,1H3
InChIKeyJODMQNXHJUPFAQ-UHFFFAOYSA-N
MW412.13 g/mol
LogP3.78
Rot. Bonds3

About 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide (PubChem CID 113267852) has the molecular formula C10H8Br2N2O2S2 and a molecular weight of 412.13 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
PubChem CID113267852
Molecular FormulaC10H8Br2N2O2S2
Molecular Weight412.13 g/mol
Exact Mass409.84
IUPAC Name5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2Br)sc1Br
InChIInChI=1S/C10H8Br2N2O2S2/c1-6-5-8(17-10(6)12)18(15,16)14-7-3-2-4-13-9(7)11/h2-5,14H,1H3
InChIKeyJODMQNXHJUPFAQ-UHFFFAOYSA-N
XLogP3.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
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
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051884
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 79939263
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]benzoate
CID 79912735
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide (CID 113267852) is 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccnc2Br)sc1Br.
What is the InChIKey of 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is JODMQNXHJUPFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O2S2/c1-6-5-8(17-10(6)12)18(15,16)14-7-3-2-4-13-9(7)11/h2-5,14H,1H3.
What are the key properties of 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 412.13 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113267852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).