5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide

C19H24BrNO3S — CID 133199241

IUPAC5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24BrNO3S/c1-13(14-6-8-15(9-7-14)19(2,3)4)21-25(22,23)18-12-16(20)10-11-17(18)24-5/h6-13,21H,1-5H3
InChIKeyGULQQDVUKBNMED-UHFFFAOYSA-N
MW426.38 g/mol
LogP4.79
Rot. Bonds5

About 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide

5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 133199241) has the molecular formula C19H24BrNO3S and a molecular weight of 426.38 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID133199241
Molecular FormulaC19H24BrNO3S
Molecular Weight426.38 g/mol
Exact Mass425.07
IUPAC Name5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24BrNO3S/c1-13(14-6-8-15(9-7-14)19(2,3)4)21-25(22,23)18-12-16(20)10-11-17(18)24-5/h6-13,21H,1-5H3
InChIKeyGULQQDVUKBNMED-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100518038
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 24511478
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696
5-bromo-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652261
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide (CID 133199241) is 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is GULQQDVUKBNMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO3S/c1-13(14-6-8-15(9-7-14)19(2,3)4)21-25(22,23)18-12-16(20)10-11-17(18)24-5/h6-13,21H,1-5H3.
What are the key properties of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 426.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 133199241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).