4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide

C18H18N4O2S — CID 171387685

IUPAC4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-13(14-5-3-2-4-6-14)22-25(23,24)17-9-7-15(8-10-17)16-11-20-18(19)21-12-16/h2-13,22H,1H3,(H2,19,20,21)/t13-/m0/s1
InChIKeyKKSTXYGCBYJNPY-ZDUSSCGKSA-N
MW354.44 g/mol
LogP2.77
Rot. Bonds5

About 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide

4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 171387685) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID171387685
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-13(14-5-3-2-4-6-14)22-25(23,24)17-9-7-15(8-10-17)16-11-20-18(19)21-12-16/h2-13,22H,1H3,(H2,19,20,21)/t13-/m0/s1
InChIKeyKKSTXYGCBYJNPY-ZDUSSCGKSA-N
XLogP2.77
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
CID 61328714
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 171387685) is 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1)c1ccccc1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is KKSTXYGCBYJNPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13(14-5-3-2-4-6-14)22-25(23,24)17-9-7-15(8-10-17)16-11-20-18(19)21-12-16/h2-13,22H,1H3,(H2,19,20,21)/t13-/m0/s1.
What are the key properties of 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide?
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 171387685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).