N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide

C16H18BrNO3S — CID 43874188

IUPACN-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO3S/c1-11-4-9-15(21-3)16(10-11)22(19,20)18-12(2)13-5-7-14(17)8-6-13/h4-10,12,18H,1-3H3
InChIKeyUTIAJMIANLSBMK-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide

N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 43874188) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID43874188
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO3S/c1-11-4-9-15(21-3)16(10-11)22(19,20)18-12(2)13-5-7-14(17)8-6-13/h4-10,12,18H,1-3H3
InChIKeyUTIAJMIANLSBMK-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
5-bromo-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652261
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide (CID 43874188) is N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is UTIAJMIANLSBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-11-4-9-15(21-3)16(10-11)22(19,20)18-12(2)13-5-7-14(17)8-6-13/h4-10,12,18H,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 43874188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).