4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine

C19H20ClN5O3S — CID 122342145

IUPAC4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C19H20ClN5O3S/c1-28-16-5-4-15(20)12-17(16)29(26,27)25-10-8-24(9-11-25)19-13-18(21-14-22-19)23-6-2-3-7-23/h2-7,12-14H,8-11H2,1H3
InChIKeyAZRVCDNIMYUVPB-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.44
Rot. Bonds5

About 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine

4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine (PubChem CID 122342145) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
PubChem CID122342145
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C19H20ClN5O3S/c1-28-16-5-4-15(20)12-17(16)29(26,27)25-10-8-24(9-11-25)19-13-18(21-14-22-19)23-6-2-3-7-23/h2-7,12-14H,8-11H2,1H3
InChIKeyAZRVCDNIMYUVPB-UHFFFAOYSA-N
XLogP2.44
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341906
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341904
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060951
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081668
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343590
N-(5-chloro-2-methoxyphenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341864
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345266
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
4-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342123

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
The IUPAC name of 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine (CID 122342145) is 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(-n3cccc3)ncn2)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
The InChIKey is AZRVCDNIMYUVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-28-16-5-4-15(20)12-17(16)29(26,27)25-10-8-24(9-11-25)19-13-18(21-14-22-19)23-6-2-3-7-23/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine has a molecular weight of 433.92 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 122342145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).