N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide

C18H23NO4S — CID 97038625

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO4S/c1-23-17-9-7-15(8-10-17)12-14-24(21,22)19-13-11-18(20)16-5-3-2-4-6-16/h2-10,18-20H,11-14H2,1H3/t18-/m0/s1
InChIKeyCCNCUVNFPZQQSM-SFHVURJKSA-N
MW349.45 g/mol
LogP2.28
Rot. Bonds9

About N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide

N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 97038625) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID97038625
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO4S/c1-23-17-9-7-15(8-10-17)12-14-24(21,22)19-13-11-18(20)16-5-3-2-4-6-16/h2-10,18-20H,11-14H2,1H3/t18-/m0/s1
InChIKeyCCNCUVNFPZQQSM-SFHVURJKSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97416967
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide
CID 86266756
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
N-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71803616

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 97038625) is N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is CCNCUVNFPZQQSM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-23-17-9-7-15(8-10-17)12-14-24(21,22)19-13-11-18(20)16-5-3-2-4-6-16/h2-10,18-20H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 97038625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).