1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide

C16H18BrNO3S — CID 170623503

IUPAC1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide
SMILESCOc1ccc(CNS(=O)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H18BrNO3S/c1-20-15-8-5-13(16(9-15)21-2)10-18-22(19)11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3
InChIKeyDPDWXXBMDDPXFV-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.42
Rot. Bonds7

About 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide

1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide (PubChem CID 170623503) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide
PubChem CID170623503
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide
SMILESCOc1ccc(CNS(=O)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H18BrNO3S/c1-20-15-8-5-13(16(9-15)21-2)10-18-22(19)11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3
InChIKeyDPDWXXBMDDPXFV-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
1-[(4-bromophenyl)methyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111875730
(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
CID 3648787
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 103792636
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide (CID 170623503) is 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide is COc1ccc(CNS(=O)Cc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide?
The InChIKey is DPDWXXBMDDPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-20-15-8-5-13(16(9-15)21-2)10-18-22(19)11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide?
1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide has a molecular weight of 384.30 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide is sourced from PubChem (CID 170623503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).