N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide

C16H18BrNO3S — CID 9267358

IUPACN-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C16H18BrNO3S/c1-3-18(12-13-7-5-4-6-8-13)22(19,20)14-9-10-15(17)16(11-14)21-2/h4-11H,3,12H2,1-2H3
InChIKeyUPEANRGWCWYSNX-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.67
Rot. Bonds6

About N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide

N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide (PubChem CID 9267358) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
PubChem CID9267358
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC NameN-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C16H18BrNO3S/c1-3-18(12-13-7-5-4-6-8-13)22(19,20)14-9-10-15(17)16(11-14)21-2/h4-11H,3,12H2,1-2H3
InChIKeyUPEANRGWCWYSNX-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
CID 30099721
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide (CID 9267358) is N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(OC)c1.
What is the InChIKey of N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
The InChIKey is UPEANRGWCWYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-3-18(12-13-7-5-4-6-8-13)22(19,20)14-9-10-15(17)16(11-14)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 9267358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).