5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride

C11H11BrClN2O2S2- — CID 53313303

IUPAC5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)c1.[Cl-]
InChIInChI=1S/C11H11BrN2O2S2.ClH/c1-7-5-8(2)13-10(6-7)14-18(15,16)11-4-3-9(12)17-11;/h3-6H,1-2H3,(H,13,14);1H/p-1
InChIKeyBLYCPMUITLGTQE-UHFFFAOYSA-M
MW382.71 g/mol
LogP0.33
Rot. Bonds3

About 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride

5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride (PubChem CID 53313303) has the molecular formula C11H11BrClN2O2S2- and a molecular weight of 382.71 g/mol. Its IUPAC name is 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride.

Molecular Properties

Compound Name5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride
PubChem CID53313303
Molecular FormulaC11H11BrClN2O2S2-
Molecular Weight382.71 g/mol
Exact Mass380.91
IUPAC Name5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)c1.[Cl-]
InChIInChI=1S/C11H11BrN2O2S2.ClH/c1-7-5-8(2)13-10(6-7)14-18(15,16)11-4-3-9(12)17-11;/h3-6H,1-2H3,(H,13,14);1H/p-1
InChIKeyBLYCPMUITLGTQE-UHFFFAOYSA-M
XLogP0.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.71
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 104599534
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
CID 4992211
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
N-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102693474
5-bromo-N-(4-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 86819055
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 115749665
4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114931977
(4,6-dimethyl-2-pyridinyl)sulfamic acid
CID 45096800
5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
CID 16759908
5-bromo-N-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride?
The IUPAC name of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride (CID 53313303) is 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride.
What is the SMILES notation for 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride?
The canonical SMILES for 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride is Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)c1.[Cl-].
What is the InChIKey of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride?
The InChIKey is BLYCPMUITLGTQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11BrN2O2S2.ClH/c1-7-5-8(2)13-10(6-7)14-18(15,16)11-4-3-9(12)17-11;/h3-6H,1-2H3,(H,13,14);1H/p-1.
What are the key properties of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride?
5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride has a molecular weight of 382.71 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride is sourced from PubChem (CID 53313303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).