5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide

C11H11BrN2O2S2 — CID 61059094

IUPAC5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-3-2-4-9(14-8)7-13-18(15,16)11-6-5-10(12)17-11/h2-6,13H,7H2,1H3
InChIKeyGWBACFOWDDFCLD-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.69
Rot. Bonds4

About 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide (PubChem CID 61059094) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
PubChem CID61059094
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-3-2-4-9(14-8)7-13-18(15,16)11-6-5-10(12)17-11/h2-6,13H,7H2,1H3
InChIKeyGWBACFOWDDFCLD-UHFFFAOYSA-N
XLogP2.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 47305613
4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
CID 16759908
5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 122317962
5-bromo-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
CID 110416286
2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide
CID 79578690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide (CID 61059094) is 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
The InChIKey is GWBACFOWDDFCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c1-8-3-2-4-9(14-8)7-13-18(15,16)11-6-5-10(12)17-11/h2-6,13H,7H2,1H3.
What are the key properties of 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61059094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).