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

C14H15ClN4O2S — CID 2819043

IUPAC5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O2S/c15-10-3-5-11(6-4-10)22(20,21)12-9-17-14(18-13(12)16)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H2,16,17,18)
InChIKeyJXOOTLIMSKDKIY-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.15
Rot. Bonds3

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

5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 2819043) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID2819043
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O2S/c15-10-3-5-11(6-4-10)22(20,21)12-9-17-14(18-13(12)16)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H2,16,17,18)
InChIKeyJXOOTLIMSKDKIY-UHFFFAOYSA-N
XLogP2.15
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Chloro-benzenesulfonyl)-pyrimidine-2,4-diamine
CID 2819040
4-Chloro-N-pyrimidin-2-yl-benzenesulfonamide
CID 935725
5-(tert-Butylsulfonyl)-2-(4-chlorophenyl)pyrimidin-4-amine
CID 546665
N~2~,N~2~-dimethyl-5-(phenylsulfonyl)-2,4-pyrimidinediamine
CID 1488188
4-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine-2-carbonitrile
CID 57335202
4-[(3S)-3-(2,3-dichlorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine-2-carbonitrile
CID 57335493
5-(4-Chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine
CID 2819036
(E)-2-(2-chlorophenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile
CID 2819209
Pyrimidine, 2,4-diamino-5-(p-chlorophenylthio)-
CID 23423597
4-[5-(4-Chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine
CID 2819306
5-(phenylsulfonyl)-N~2~,N~2~-dipropylpyrimidine-2,4-diamine
CID 53490651
4-Chloro-N-(2-{[4-(dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)benzenesulfonamide
CID 72918802

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 2819043) is 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine is Nc1nc(N2CCCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JXOOTLIMSKDKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c15-10-3-5-11(6-4-10)22(20,21)12-9-17-14(18-13(12)16)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H2,16,17,18).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 338.82 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 2819043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).