5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide

C10H14BrNO4S2 — CID 113237489

IUPAC5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCS(C)=O
InChIInChI=1S/C10H14BrNO4S2/c1-16-9-4-3-8(11)7-10(9)18(14,15)12-5-6-17(2)13/h3-4,7,12H,5-6H2,1-2H3
InChIKeyCMVFZQVQXDOKLS-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.11
Rot. Bonds6

About 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide

5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide (PubChem CID 113237489) has the molecular formula C10H14BrNO4S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
PubChem CID113237489
Molecular FormulaC10H14BrNO4S2
Molecular Weight356.26 g/mol
Exact Mass354.95
IUPAC Name5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCS(C)=O
InChIInChI=1S/C10H14BrNO4S2/c1-16-9-4-3-8(11)7-10(9)18(14,15)12-5-6-17(2)13/h3-4,7,12H,5-6H2,1-2H3
InChIKeyCMVFZQVQXDOKLS-UHFFFAOYSA-N
XLogP1.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 9301756
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824149
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide (CID 113237489) is 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCS(C)=O.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide?
The InChIKey is CMVFZQVQXDOKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S2/c1-16-9-4-3-8(11)7-10(9)18(14,15)12-5-6-17(2)13/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide has a molecular weight of 356.26 g/mol, XLogP of 1.11, 6 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-(2-methylsulfinylethyl)benzenesulfonamide is sourced from PubChem (CID 113237489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).