3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

C13H13BrN2O2S2 — CID 61072956

IUPAC3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C13H13BrN2O2S2/c14-12-6-8-19-13(12)20(17,18)16(11-4-5-11)9-10-3-1-2-7-15-10/h1-3,6-8,11H,4-5,9H2
InChIKeyJYOREDOEMXUJSB-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.26
Rot. Bonds5

About 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 61072956) has the molecular formula C13H13BrN2O2S2 and a molecular weight of 373.30 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID61072956
Molecular FormulaC13H13BrN2O2S2
Molecular Weight373.30 g/mol
Exact Mass371.96
IUPAC Name3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C13H13BrN2O2S2/c14-12-6-8-19-13(12)20(17,18)16(11-4-5-11)9-10-3-1-2-7-15-10/h1-3,6-8,11H,4-5,9H2
InChIKeyJYOREDOEMXUJSB-UHFFFAOYSA-N
XLogP3.26
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Pyridinyl)-2-thiophenesulfonamide
CID 2760514
Thiophene-2-sulfonic acid pyridin-3-ylamide
CID 651720
5-(Pyridin-2-yl)thiophene-2-sulfonohydrazide
CID 2737248
5-bromo-N-(2-pyridinylmethyl)-2-thiophenesulfonamide
CID 662505
2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide
CID 1263108
N-cyclohexyl-N-methyl-5-(2-pyridinyl)-2-thiophenesulfonamide
CID 2813897
5-(2-Pyridyl)thiophene-2-sulfonyl chloride
CID 2737231
5-Bromo-2-(2-thienyl)pyridine
CID 13238694
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 4398475
N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 6602955
5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide
CID 71683371
N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453616

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 61072956) is 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1sccc1Br)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is JYOREDOEMXUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S2/c14-12-6-8-19-13(12)20(17,18)16(11-4-5-11)9-10-3-1-2-7-15-10/h1-3,6-8,11H,4-5,9H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 373.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61072956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).