N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide

C17H22N2O3S — CID 97258058

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H22N2O3S/c1-14(2)12-19(13-17(20)15-7-4-3-5-8-15)23(21,22)16-9-6-10-18-11-16/h3-11,14,17,20H,12-13H2,1-2H3/t17-/m0/s1
InChIKeySTPRSKGMWGZFRN-KRWDZBQOSA-N
MW334.44 g/mol
LogP2.46
Rot. Bonds7

About N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide

N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 97258058) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID97258058
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H22N2O3S/c1-14(2)12-19(13-17(20)15-7-4-3-5-8-15)23(21,22)16-9-6-10-18-11-16/h3-11,14,17,20H,12-13H2,1-2H3/t17-/m0/s1
InChIKeySTPRSKGMWGZFRN-KRWDZBQOSA-N
XLogP2.46
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide (CID 97258058) is N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide is CC(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is STPRSKGMWGZFRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-14(2)12-19(13-17(20)15-7-4-3-5-8-15)23(21,22)16-9-6-10-18-11-16/h3-11,14,17,20H,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 97258058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).