5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide

C12H13BrN2O2S2 — CID 103768575

IUPAC5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-3-15(10-4-6-14-7-5-10)19(16,17)11-8-9(2)12(13)18-11/h4-8H,3H2,1-2H3
InChIKeyCISVATVIHRDQQI-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide

5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide (PubChem CID 103768575) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
PubChem CID103768575
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-3-15(10-4-6-14-7-5-10)19(16,17)11-8-9(2)12(13)18-11/h4-8H,3H2,1-2H3
InChIKeyCISVATVIHRDQQI-UHFFFAOYSA-N
XLogP3.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572
2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 103744756
4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934536
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 103768578
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide
CID 71975650
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79923482

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide (CID 103768575) is 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide is CCN(c1ccncc1)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide?
The InChIKey is CISVATVIHRDQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-3-15(10-4-6-14-7-5-10)19(16,17)11-8-9(2)12(13)18-11/h4-8H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide?
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 103768575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).