4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine

C13H14ClN5O3S — CID 59284569

IUPAC4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine
SMILESO=S(=O)(c1ccccc1Nc1ncnc(Cl)n1)N1CCOCC1
InChIInChI=1S/C13H14ClN5O3S/c14-12-15-9-16-13(18-12)17-10-3-1-2-4-11(10)23(20,21)19-5-7-22-8-6-19/h1-4,9H,5-8H2,(H,15,16,17,18)
InChIKeyNKTQPOHOAIOLJX-UHFFFAOYSA-N
MW355.81 g/mol
LogP1.29
Rot. Bonds4

About 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine

4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine (PubChem CID 59284569) has the molecular formula C13H14ClN5O3S and a molecular weight of 355.81 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine
PubChem CID59284569
Molecular FormulaC13H14ClN5O3S
Molecular Weight355.81 g/mol
Exact Mass355.05
IUPAC Name4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine
SMILESO=S(=O)(c1ccccc1Nc1ncnc(Cl)n1)N1CCOCC1
InChIInChI=1S/C13H14ClN5O3S/c14-12-15-9-16-13(18-12)17-10-3-1-2-4-11(10)23(20,21)19-5-7-22-8-6-19/h1-4,9H,5-8H2,(H,15,16,17,18)
InChIKeyNKTQPOHOAIOLJX-UHFFFAOYSA-N
XLogP1.29
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
CID 86633907
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664
2-morpholin-4-ylsulfonylphenol
CID 79020270
N-[4-[4-[[5-chloro-4-(2-morpholin-4-ylsulfonylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]phenyl]propanamide
CID 25160284
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine
CID 102039271
4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine
CID 118147702
5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine
CID 141202772
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol
CID 123825024
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine (CID 59284569) is 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine is O=S(=O)(c1ccccc1Nc1ncnc(Cl)n1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is NKTQPOHOAIOLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O3S/c14-12-15-9-16-13(18-12)17-10-3-1-2-4-11(10)23(20,21)19-5-7-22-8-6-19/h1-4,9H,5-8H2,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine?
4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 355.81 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 59284569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).