N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide

C17H21NO3S — CID 11324642

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(20,21)18-16(11-19)15-7-5-4-6-8-15/h4-10,16,18-19H,11H2,1-3H3/t16-/m1/s1
InChIKeyFUAFDRBMRFAWEE-MRXNPFEDSA-N
MW319.43 g/mol
LogP2.62
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 11324642) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID11324642
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(20,21)18-16(11-19)15-7-5-4-6-8-15/h4-10,16,18-19H,11H2,1-3H3/t16-/m1/s1
InChIKeyFUAFDRBMRFAWEE-MRXNPFEDSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide (CID 11324642) is N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is FUAFDRBMRFAWEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(20,21)18-16(11-19)15-7-5-4-6-8-15/h4-10,16,18-19H,11H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 11324642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).