N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

C16H19NO3S — CID 688331

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3/t15-/m0/s1
InChIKeyQSUGRMCPSKTJTP-HNNXBMFYSA-N
MW305.40 g/mol
LogP1.88
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 688331) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID688331
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3/t15-/m0/s1
InChIKeyQSUGRMCPSKTJTP-HNNXBMFYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (CID 688331) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is QSUGRMCPSKTJTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 688331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).