N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide

C18H23NO3S — CID 110664059

IUPACN-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
SMILESCC(O)(CNS(=O)(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-18(20,17-12-6-3-7-13-17)15-19-23(21,22)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,19-20H,8,11,14-15H2,1H3
InChIKeyAANNUXAUMPPECX-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.45
Rot. Bonds8

About N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide

N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide (PubChem CID 110664059) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
PubChem CID110664059
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
SMILESCC(O)(CNS(=O)(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-18(20,17-12-6-3-7-13-17)15-19-23(21,22)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,19-20H,8,11,14-15H2,1H3
InChIKeyAANNUXAUMPPECX-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-hydroxy-2-phenylpropyl)propane-1-sulfonamide
CID 71911317
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060
N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
CID 110664052
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide
CID 112504986
2-methyl-1-(3-phenylpropylsulfonyl)propan-2-ol
CID 111435451
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide
CID 57166423

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide (CID 110664059) is N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide is CC(O)(CNS(=O)(=O)CCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide?
The InChIKey is AANNUXAUMPPECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(20,17-12-6-3-7-13-17)15-19-23(21,22)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,19-20H,8,11,14-15H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide?
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide has a molecular weight of 333.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110664059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).