N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C21H20BrNO4S — CID 46023029

IUPACN-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H20BrNO4S/c1-26-19-11-9-16(10-12-19)15-23(18-6-3-5-17(22)13-18)28(24,25)21-8-4-7-20(14-21)27-2/h3-14H,15H2,1-2H3
InChIKeyQARJVVYLXCFPGQ-UHFFFAOYSA-N
MW462.37 g/mol
LogP4.86
Rot. Bonds7

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

N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 46023029) has the molecular formula C21H20BrNO4S and a molecular weight of 462.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID46023029
Molecular FormulaC21H20BrNO4S
Molecular Weight462.37 g/mol
Exact Mass461.03
IUPAC NameN-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H20BrNO4S/c1-26-19-11-9-16(10-12-19)15-23(18-6-3-5-17(22)13-18)28(24,25)21-8-4-7-20(14-21)27-2/h3-14H,15H2,1-2H3
InChIKeyQARJVVYLXCFPGQ-UHFFFAOYSA-N
XLogP4.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-(3-bromophenyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 46021891
3-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 163201385
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132693920
4-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1448179

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 46023029) is N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is QARJVVYLXCFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO4S/c1-26-19-11-9-16(10-12-19)15-23(18-6-3-5-17(22)13-18)28(24,25)21-8-4-7-20(14-21)27-2/h3-14H,15H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 462.37 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46023029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).