N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C21H20BrNO3S — CID 46022175

IUPACN-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H20BrNO3S/c1-16-6-12-21(13-7-16)27(24,25)23(19-10-8-18(22)9-11-19)15-17-4-3-5-20(14-17)26-2/h3-14H,15H2,1-2H3
InChIKeyNSHORBBRONGSHL-UHFFFAOYSA-N
MW446.37 g/mol
LogP5.16
Rot. Bonds6

About N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 46022175) has the molecular formula C21H20BrNO3S and a molecular weight of 446.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID46022175
Molecular FormulaC21H20BrNO3S
Molecular Weight446.37 g/mol
Exact Mass445.03
IUPAC NameN-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H20BrNO3S/c1-16-6-12-21(13-7-16)27(24,25)23(19-10-8-18(22)9-11-19)15-17-4-3-5-20(14-17)26-2/h3-14H,15H2,1-2H3
InChIKeyNSHORBBRONGSHL-UHFFFAOYSA-N
XLogP5.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide 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

N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022176
N-(4-bromophenyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023287
2-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132693921
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023288
N-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022697
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46021875
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 46021917

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 46022175) is N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is NSHORBBRONGSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO3S/c1-16-6-12-21(13-7-16)27(24,25)23(19-10-8-18(22)9-11-19)15-17-4-3-5-20(14-17)26-2/h3-14H,15H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 446.37 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46022175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).