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

C11H11BrN2O2S2 — CID 4149042

IUPAC5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C11H11BrN2O2S2/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)
InChIKeyMLGDPXDDHRNCQF-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.32
Rot. Bonds3

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

5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide (PubChem CID 4149042) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide
PubChem CID4149042
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C11H11BrN2O2S2/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)
InChIKeyMLGDPXDDHRNCQF-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide (CID 4149042) is 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is MLGDPXDDHRNCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/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).
What are the key properties of 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide?
5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-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 5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 4149042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).