4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide

C14H17N5O3S — CID 58891146

IUPAC4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N5O3S/c15-23(20,21)12-3-1-11(2-4-12)17-14-16-6-5-13(18-14)19-7-9-22-10-8-19/h1-6H,7-10H2,(H2,15,20,21)(H,16,17,18)
InChIKeyYNVRKQALFIIIRZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.70
Rot. Bonds4

About 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide

4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 58891146) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID58891146
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N5O3S/c15-23(20,21)12-3-1-11(2-4-12)17-14-16-6-5-13(18-14)19-7-9-22-10-8-19/h1-6H,7-10H2,(H2,15,20,21)(H,16,17,18)
InChIKeyYNVRKQALFIIIRZ-UHFFFAOYSA-N
XLogP0.70
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
N-[4-[2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 167653626
4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101719
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
N-(2-carbamoylphenyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 155549553
4-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 90438115

Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 58891146) is 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is YNVRKQALFIIIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c15-23(20,21)12-3-1-11(2-4-12)17-14-16-6-5-13(18-14)19-7-9-22-10-8-19/h1-6H,7-10H2,(H2,15,20,21)(H,16,17,18).
What are the key properties of 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide?
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 58891146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).