N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide

C11H11BrN2O2S2 — CID 103816111

IUPACN-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2Br)c(C)s1
InChIInChI=1S/C11H11BrN2O2S2/c1-7-6-10(8(2)17-7)18(15,16)14-9-4-3-5-13-11(9)12/h3-6,14H,1-2H3
InChIKeyJNQQQILGEPYMOM-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.32
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide

N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 103816111) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID103816111
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC NameN-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2Br)c(C)s1
InChIInChI=1S/C11H11BrN2O2S2/c1-7-6-10(8(2)17-7)18(15,16)14-9-4-3-5-13-11(9)12/h3-6,14H,1-2H3
InChIKeyJNQQQILGEPYMOM-UHFFFAOYSA-N
XLogP3.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.32
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-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051884
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
CID 103816094
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092
N-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
CID 126833361

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide (CID 103816111) is N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccnc2Br)c(C)s1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is JNQQQILGEPYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c1-7-6-10(8(2)17-7)18(15,16)14-9-4-3-5-13-11(9)12/h3-6,14H,1-2H3.
What are the key properties of N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 347.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 103816111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).