3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide

C12H13BrN2O2S2 — CID 61456214

IUPAC3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H13BrN2O2S2/c1-15(8-4-10-2-6-14-7-3-10)19(16,17)12-11(13)5-9-18-12/h2-3,5-7,9H,4,8H2,1H3
InChIKeyZMODNJGPPREGDC-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.77
Rot. Bonds5

About 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide

3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide (PubChem CID 61456214) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
PubChem CID61456214
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H13BrN2O2S2/c1-15(8-4-10-2-6-14-7-3-10)19(16,17)12-11(13)5-9-18-12/h2-3,5-7,9H,4,8H2,1H3
InChIKeyZMODNJGPPREGDC-UHFFFAOYSA-N
XLogP2.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61074028
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
3-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61456216
4-[[(3-bromothiophen-2-yl)sulfonyl-methylamino]methyl]benzoic acid
CID 61072549
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027898
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide (CID 61456214) is 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide is CN(CCc1ccncc1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
The InChIKey is ZMODNJGPPREGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-15(8-4-10-2-6-14-7-3-10)19(16,17)12-11(13)5-9-18-12/h2-3,5-7,9H,4,8H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61456214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).