N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide

C15H15BrClNO3S — CID 46445215

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C15H15BrClNO3S/c1-10(11-7-8-14(21-2)12(16)9-11)18-22(19,20)15-6-4-3-5-13(15)17/h3-10,18H,1-2H3
InChIKeyRFJINFQTGYEKOM-UHFFFAOYSA-N
MW404.71 g/mol
LogP4.15
Rot. Bonds5

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide (PubChem CID 46445215) has the molecular formula C15H15BrClNO3S and a molecular weight of 404.71 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
PubChem CID46445215
Molecular FormulaC15H15BrClNO3S
Molecular Weight404.71 g/mol
Exact Mass402.96
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C15H15BrClNO3S/c1-10(11-7-8-14(21-2)12(16)9-11)18-22(19,20)15-6-4-3-5-13(15)17/h3-10,18H,1-2H3
InChIKeyRFJINFQTGYEKOM-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 74658274
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 42913006
1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]ethanamine
CID 81374017
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloropropane-1-sulfonamide
CID 54877751
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55386981
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356180
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chlorobutane-1-sulfonamide
CID 116815789

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide (CID 46445215) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide is COc1ccc(C(C)NS(=O)(=O)c2ccccc2Cl)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide?
The InChIKey is RFJINFQTGYEKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO3S/c1-10(11-7-8-14(21-2)12(16)9-11)18-22(19,20)15-6-4-3-5-13(15)17/h3-10,18H,1-2H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide has a molecular weight of 404.71 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 46445215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).