3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

C13H14BrNO3S2 — CID 61072196

IUPAC3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C13H14BrNO3S2/c1-15(9-10-3-5-11(18-2)6-4-10)20(16,17)13-12(14)7-8-19-13/h3-8H,9H2,1-2H3
InChIKeyNJJQNMYNECIJKJ-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.34
Rot. Bonds5

About 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 61072196) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID61072196
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C13H14BrNO3S2/c1-15(9-10-3-5-11(18-2)6-4-10)20(16,17)13-12(14)7-8-19-13/h3-8H,9H2,1-2H3
InChIKeyNJJQNMYNECIJKJ-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-bromothiophen-2-yl)sulfonyl-methylamino]methyl]benzoic acid
CID 61072549
3-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61456216
3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61074028
2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63946400
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61456214
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 61072196) is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2sccc2Br)cc1.
What is the InChIKey of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is NJJQNMYNECIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-15(9-10-3-5-11(18-2)6-4-10)20(16,17)13-12(14)7-8-19-13/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61072196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).