N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide

C17H21NO3S — CID 110779943

IUPACN-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)CCCc2ccccc2)c1
InChIInChI=1S/C17H21NO3S/c1-21-17-11-5-9-16(13-17)14-18-22(19,20)12-6-10-15-7-3-2-4-8-15/h2-5,7-9,11,13,18H,6,10,12,14H2,1H3
InChIKeyRHBLRONXZCKKPO-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.75
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide

N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110779943) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110779943
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)CCCc2ccccc2)c1
InChIInChI=1S/C17H21NO3S/c1-21-17-11-5-9-16(13-17)14-18-22(19,20)12-6-10-15-7-3-2-4-8-15/h2-5,7-9,11,13,18H,6,10,12,14H2,1H3
InChIKeyRHBLRONXZCKKPO-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
3-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropane-1-sulfonamide
CID 79585629
N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112999271
2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide
CID 110606841

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide (CID 110779943) is N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide is COc1cccc(CNS(=O)(=O)CCCc2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is RHBLRONXZCKKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-21-17-11-5-9-16(13-17)14-18-22(19,20)12-6-10-15-7-3-2-4-8-15/h2-5,7-9,11,13,18H,6,10,12,14H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110779943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).