5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C13H14BrNO3S2 — CID 35609931

IUPAC5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1sccc1C
InChIInChI=1S/C13H14BrNO3S2/c1-9-5-6-19-12(9)8-15-20(16,17)13-7-10(14)3-4-11(13)18-2/h3-7,15H,8H2,1-2H3
InChIKeyVWLREBAGUSGAQI-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.31
Rot. Bonds5

About 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 35609931) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID35609931
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1sccc1C
InChIInChI=1S/C13H14BrNO3S2/c1-9-5-6-19-12(9)8-15-20(16,17)13-7-10(14)3-4-11(13)18-2/h3-7,15H,8H2,1-2H3
InChIKeyVWLREBAGUSGAQI-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
3-bromo-5-(hydroxymethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81480783
5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 9301756
5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 121123398
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787
2,4-dibromo-N-[(3-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 78983691
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 3338013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 35609931) is 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCc1sccc1C.
What is the InChIKey of 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is VWLREBAGUSGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-9-5-6-19-12(9)8-15-20(16,17)13-7-10(14)3-4-11(13)18-2/h3-7,15H,8H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 376.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 35609931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).