5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide

C14H16BrNO3S2 — CID 103739636

IUPAC5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-10-9-13(20-14(10)15)21(17,18)16-8-7-11-5-3-4-6-12(11)19-2/h3-6,9,16H,7-8H2,1-2H3
InChIKeyNUFSXZYNKFHBDW-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.35
Rot. Bonds6

About 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide (PubChem CID 103739636) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
PubChem CID103739636
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-10-9-13(20-14(10)15)21(17,18)16-8-7-11-5-3-4-6-12(11)19-2/h3-6,9,16H,7-8H2,1-2H3
InChIKeyNUFSXZYNKFHBDW-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963
5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79994940
5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106262606
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 80505327
5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 9301756
5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933087
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide (CID 103739636) is 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide is COc1ccccc1CCNS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is NUFSXZYNKFHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-10-9-13(20-14(10)15)21(17,18)16-8-7-11-5-3-4-6-12(11)19-2/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103739636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).