N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine

C14H15ClN4O2S — CID 121187637

IUPACN-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1Cl
InChIInChI=1S/C14H15ClN4O2S/c1-10-3-4-12(7-13(10)15)22(20,21)19-8-11(9-19)18-14-16-5-2-6-17-14/h2-7,11H,8-9H2,1H3,(H,16,17,18)
InChIKeyOTLFPGPEXYTUQQ-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.92
Rot. Bonds4

About N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine

N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine (PubChem CID 121187637) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
PubChem CID121187637
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC NameN-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1Cl
InChIInChI=1S/C14H15ClN4O2S/c1-10-3-4-12(7-13(10)15)22(20,21)19-8-11(9-19)18-14-16-5-2-6-17-14/h2-7,11H,8-9H2,1H3,(H,16,17,18)
InChIKeyOTLFPGPEXYTUQQ-UHFFFAOYSA-N
XLogP1.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.92
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-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187627
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187648
1-[4-[3-(pyrimidin-2-ylamino)azetidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 119103832
(3aS,6aR)-5-(3-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665823
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
1-benzyl-4-(3-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110657740
N-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89237996

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine (CID 121187637) is N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine is Cc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
The InChIKey is OTLFPGPEXYTUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-10-3-4-12(7-13(10)15)22(20,21)19-8-11(9-19)18-14-16-5-2-6-17-14/h2-7,11H,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine?
N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine has a molecular weight of 338.82 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121187637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).