N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine

C13H13ClN4O2S — CID 121187627

IUPACN-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C13H13ClN4O2S/c14-10-3-1-4-12(7-10)21(19,20)18-8-11(9-18)17-13-15-5-2-6-16-13/h1-7,11H,8-9H2,(H,15,16,17)
InChIKeyBOZCAZGLDJVDGF-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.62
Rot. Bonds4

About N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine

N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine (PubChem CID 121187627) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
PubChem CID121187627
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC NameN-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C13H13ClN4O2S/c14-10-3-1-4-12(7-10)21(19,20)18-8-11(9-18)17-13-15-5-2-6-16-13/h1-7,11H,8-9H2,(H,15,16,17)
InChIKeyBOZCAZGLDJVDGF-UHFFFAOYSA-N
XLogP1.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187664
N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187637
N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187648
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
1-[4-[3-(pyrimidin-2-ylamino)azetidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 119103832
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133
(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
CID 133125721
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110413210

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine (CID 121187627) is N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine is O=S(=O)(c1cccc(Cl)c1)N1CC(Nc2ncccn2)C1.
What is the InChIKey of N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The InChIKey is BOZCAZGLDJVDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c14-10-3-1-4-12(7-10)21(19,20)18-8-11(9-18)17-13-15-5-2-6-16-13/h1-7,11H,8-9H2,(H,15,16,17).
What are the key properties of N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine has a molecular weight of 324.79 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).