5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide

C18H17BrN2O4S2 — CID 55913944

IUPAC5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccn2)cc1
InChIInChI=1S/C18H17BrN2O4S2/c1-2-24-14-3-5-15(6-4-14)25-17-11-13(9-10-20-17)12-21-27(22,23)18-8-7-16(19)26-18/h3-11,21H,2,12H2,1H3
InChIKeyMMLDGNPWPIYSOU-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.58
Rot. Bonds8

About 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide

5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 55913944) has the molecular formula C18H17BrN2O4S2 and a molecular weight of 469.38 g/mol. Its IUPAC name is 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID55913944
Molecular FormulaC18H17BrN2O4S2
Molecular Weight469.38 g/mol
Exact Mass467.98
IUPAC Name5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccn2)cc1
InChIInChI=1S/C18H17BrN2O4S2/c1-2-24-14-3-5-15(6-4-14)25-17-11-13(9-10-20-17)12-21-27(22,23)18-8-7-16(19)26-18/h3-11,21H,2,12H2,1H3
InChIKeyMMLDGNPWPIYSOU-UHFFFAOYSA-N
XLogP4.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-6-nitrobenzenesulfonamide
CID 55914573
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 47065243
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
CID 55914039
2,3,4-trifluoro-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]benzenesulfonamide
CID 51130893
5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
CID 3868034
4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
CID 47064941
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide (CID 55913944) is 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide is CCOc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccn2)cc1.
What is the InChIKey of 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is MMLDGNPWPIYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4S2/c1-2-24-14-3-5-15(6-4-14)25-17-11-13(9-10-20-17)12-21-27(22,23)18-8-7-16(19)26-18/h3-11,21H,2,12H2,1H3.
What are the key properties of 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 469.38 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55913944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).