N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide

C17H16N4O2S — CID 95970916

IUPACN-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccnc1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C17H16N4O2S/c1-13(21-24(22,23)17-3-2-8-18-11-17)14-4-6-15(7-5-14)16-9-19-12-20-10-16/h2-13,21H,1H3/t13-/m1/s1
InChIKeyIETJBPBFUOMDGF-CYBMUJFWSA-N
MW340.41 g/mol
LogP2.58
Rot. Bonds5

About N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide

N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 95970916) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID95970916
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccnc1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C17H16N4O2S/c1-13(21-24(22,23)17-3-2-8-18-11-17)14-4-6-15(7-5-14)16-9-19-12-20-10-16/h2-13,21H,1H3/t13-/m1/s1
InChIKeyIETJBPBFUOMDGF-CYBMUJFWSA-N
XLogP2.58
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 171387685
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 43134153
1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide
CID 96566955
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide (CID 95970916) is N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide is C[C@@H](NS(=O)(=O)c1cccnc1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is IETJBPBFUOMDGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-13(21-24(22,23)17-3-2-8-18-11-17)14-4-6-15(7-5-14)16-9-19-12-20-10-16/h2-13,21H,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide?
N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 95970916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).