5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

C14H16BrNO3S2 — CID 61059090

IUPAC5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-3-19-12-7-5-4-6-11(12)10-16(2)21(17,18)14-9-8-13(15)20-14/h4-9H,3,10H2,1-2H3
InChIKeyWQROJYLVCIUDPK-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.73
Rot. Bonds6

About 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 61059090) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID61059090
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-3-19-12-7-5-4-6-11(12)10-16(2)21(17,18)14-9-8-13(15)20-14/h4-9H,3,10H2,1-2H3
InChIKeyWQROJYLVCIUDPK-UHFFFAOYSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
CID 43458476
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55957400
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444026

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 61059090) is 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is WQROJYLVCIUDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-3-19-12-7-5-4-6-11(12)10-16(2)21(17,18)14-9-8-13(15)20-14/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61059090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).