5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine

C16H19ClN4O2S — CID 1487957

IUPAC5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCC2)n1
InChIInChI=1S/C16H19ClN4O2S/c1-20(2)16-18-11-14(15(19-16)21-9-3-4-10-21)24(22,23)13-7-5-12(17)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyUCQMMUYZQXJOQV-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.63
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine

5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 1487957) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID1487957
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCC2)n1
InChIInChI=1S/C16H19ClN4O2S/c1-20(2)16-18-11-14(15(19-16)21-9-3-4-10-21)24(22,23)13-7-5-12(17)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyUCQMMUYZQXJOQV-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 1487957) is 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine is CN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCC2)n1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is UCQMMUYZQXJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-20(2)16-18-11-14(15(19-16)21-9-3-4-10-21)24(22,23)13-7-5-12(17)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 366.87 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N,N-dimethyl-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 1487957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).