5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

C16H18BrNO3S — CID 9301756

IUPAC5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccccc1C
InChIInChI=1S/C16H18BrNO3S/c1-12-5-3-4-6-13(12)9-10-18-22(19,20)16-11-14(17)7-8-15(16)21-2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFCFJQIAVRRLZKH-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.29
Rot. Bonds6

About 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 9301756) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID9301756
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccccc1C
InChIInChI=1S/C16H18BrNO3S/c1-12-5-3-4-6-13(12)9-10-18-22(19,20)16-11-14(17)7-8-15(16)21-2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFCFJQIAVRRLZKH-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 5181856
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
5-bromo-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744455
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-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63331083
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 9301756) is 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCc1ccccc1C.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is FCFJQIAVRRLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-12-5-3-4-6-13(12)9-10-18-22(19,20)16-11-14(17)7-8-15(16)21-2/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9301756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).