4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide

C18H18N4O3S — CID 68992001

IUPAC4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(NC[C@@H](O)c3ccccc3)ncn2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)15-8-6-13(7-9-15)16-10-18(22-12-21-16)20-11-17(23)14-4-2-1-3-5-14/h1-10,12,17,23H,11H2,(H2,19,24,25)(H,20,21,22)/t17-/m1/s1
InChIKeyJYWYLUKZGWHDSQ-QGZVFWFLSA-N
MW370.43 g/mol
LogP1.94
Rot. Bonds6

About 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide

4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide (PubChem CID 68992001) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
PubChem CID68992001
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(NC[C@@H](O)c3ccccc3)ncn2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)15-8-6-13(7-9-15)16-10-18(22-12-21-16)20-11-17(23)14-4-2-1-3-5-14/h1-10,12,17,23H,11H2,(H2,19,24,25)(H,20,21,22)/t17-/m1/s1
InChIKeyJYWYLUKZGWHDSQ-QGZVFWFLSA-N
XLogP1.94
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

1-phenyl-2-[[6-(4-thiomorpholin-4-ylsulfonylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963364
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 70963258
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 143851560
2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963269
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 68993273
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide (CID 68992001) is 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(NC[C@@H](O)c3ccccc3)ncn2)cc1.
What is the InChIKey of 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is JYWYLUKZGWHDSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-26(24,25)15-8-6-13(7-9-15)16-10-18(22-12-21-16)20-11-17(23)14-4-2-1-3-5-14/h1-10,12,17,23H,11H2,(H2,19,24,25)(H,20,21,22)/t17-/m1/s1.
What are the key properties of 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide?
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 68992001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).