3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine

C16H19NO3S — CID 64699404

IUPAC3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
SMILESCOc1cccc(S(=O)(=O)CC(CN)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-20-15-8-5-9-16(10-15)21(18,19)12-14(11-17)13-6-3-2-4-7-13/h2-10,14H,11-12,17H2,1H3
InChIKeyATOAEXCOJIOUHE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.21
Rot. Bonds6

About 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine

3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine (PubChem CID 64699404) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
PubChem CID64699404
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
SMILESCOc1cccc(S(=O)(=O)CC(CN)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-20-15-8-5-9-16(10-15)21(18,19)12-14(11-17)13-6-3-2-4-7-13/h2-10,14H,11-12,17H2,1H3
InChIKeyATOAEXCOJIOUHE-UHFFFAOYSA-N
XLogP2.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64698276
2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 117242945
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
3-methoxy-N-[1-(3-methoxyphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 42842051
3-methoxybenzenesulfonamide
CID 14763060
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine (CID 64699404) is 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine is COc1cccc(S(=O)(=O)CC(CN)c2ccccc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine?
The InChIKey is ATOAEXCOJIOUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-20-15-8-5-9-16(10-15)21(18,19)12-14(11-17)13-6-3-2-4-7-13/h2-10,14H,11-12,17H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine?
3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine has a molecular weight of 305.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine is sourced from PubChem (CID 64699404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).