2-phenyl-5-piperazin-1-ylsulfonylpyrimidine

C14H16N4O2S — CID 126766963

IUPAC2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
SMILESO=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCNCC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,18-8-6-15-7-9-18)13-10-16-14(17-11-13)12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2
InChIKeyBDNVNPKFDUSPKV-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.74
Rot. Bonds3

About 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine

2-phenyl-5-piperazin-1-ylsulfonylpyrimidine (PubChem CID 126766963) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine.

Molecular Properties

Compound Name2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
PubChem CID126766963
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
SMILESO=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCNCC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,18-8-6-15-7-9-18)13-10-16-14(17-11-13)12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2
InChIKeyBDNVNPKFDUSPKV-UHFFFAOYSA-N
XLogP0.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 120708463
1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine
CID 82048413
1-(3-phenylphenyl)sulfonyl-1,4-diazepane
CID 120999353
(2R)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069647
(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069731
3-piperazin-1-ylsulfonylbenzoic acid
CID 18801880
1-(1-phenylpyrazol-4-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963609
2-(1,4-diazepan-1-ylsulfonyl)phenanthridine
CID 19826040
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine
CID 126794901
3-(1,4-diazepan-1-ylsulfonyl)benzoic acid
CID 61405195

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine?
The IUPAC name of 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine (CID 126766963) is 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine.
What is the SMILES notation for 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine?
The canonical SMILES for 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine is O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCNCC1.
What is the InChIKey of 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine?
The InChIKey is BDNVNPKFDUSPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-21(20,18-8-6-15-7-9-18)13-10-16-14(17-11-13)12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2.
What are the key properties of 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine?
2-phenyl-5-piperazin-1-ylsulfonylpyrimidine has a molecular weight of 304.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-piperazin-1-ylsulfonylpyrimidine is sourced from PubChem (CID 126766963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).