N-(3-bromo-5-ethoxyphenyl)methanesulfonamide

C9H12BrNO3S — CID 59772894

IUPACN-(3-bromo-5-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cc(Br)cc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H12BrNO3S/c1-3-14-9-5-7(10)4-8(6-9)11-15(2,12)13/h4-6,11H,3H2,1-2H3
InChIKeyASPWMLKNOCLQGO-UHFFFAOYSA-N
MW294.17 g/mol
LogP2.22
Rot. Bonds4

About N-(3-bromo-5-ethoxyphenyl)methanesulfonamide

N-(3-bromo-5-ethoxyphenyl)methanesulfonamide (PubChem CID 59772894) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is N-(3-bromo-5-ethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-ethoxyphenyl)methanesulfonamide
PubChem CID59772894
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC NameN-(3-bromo-5-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cc(Br)cc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H12BrNO3S/c1-3-14-9-5-7(10)4-8(6-9)11-15(2,12)13/h4-6,11H,3H2,1-2H3
InChIKeyASPWMLKNOCLQGO-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-5-ethoxyphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3,5-diethoxybenzene
CID 150473293
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 135348293
N-(3-bromo-5-methoxyphenyl)-1-cyanomethanesulfonamide
CID 82867498
N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
CID 84596891
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
1-bromo-3-ethoxy-5-methylsulfanylbenzene
CID 164894269
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide
CID 175307812
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-ethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-bromo-5-ethoxyphenyl)methanesulfonamide (CID 59772894) is N-(3-bromo-5-ethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-bromo-5-ethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-bromo-5-ethoxyphenyl)methanesulfonamide is CCOc1cc(Br)cc(NS(C)(=O)=O)c1.
What is the InChIKey of N-(3-bromo-5-ethoxyphenyl)methanesulfonamide?
The InChIKey is ASPWMLKNOCLQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-3-14-9-5-7(10)4-8(6-9)11-15(2,12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(3-bromo-5-ethoxyphenyl)methanesulfonamide?
N-(3-bromo-5-ethoxyphenyl)methanesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-ethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 59772894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).