2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine

C18H18N4O2S — CID 1241437

IUPAC2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18N4O2S/c23-25(24,17-7-6-15-4-1-2-5-16(15)14-17)22-12-10-21(11-13-22)18-19-8-3-9-20-18/h1-9,14H,10-13H2
InChIKeyPDQQUIPHMRAOGA-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.14
Rot. Bonds3

About 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 1241437) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID1241437
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18N4O2S/c23-25(24,17-7-6-15-4-1-2-5-16(15)14-17)22-12-10-21(11-13-22)18-19-8-3-9-20-18/h1-9,14H,10-13H2
InChIKeyPDQQUIPHMRAOGA-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

R-306465
CID 10309899
Arylsulfonylpiperazine, 18
CID 24901355
Arylsulfonylpiperazine, 19
CID 44237023
2-[4-(Benzenesulfonyl)piperazin-1-yl]pyrimidine
CID 4669887
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]naphthalene-2-sulfonamide
CID 57399592
N-pyrimidin-4-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide
CID 71586128
[1-(Naphthalene-2-sulfonyl)-piperidin-4-yl]-(4-pyrimidin-2-yl-piperazin-1-yl)-methanone
CID 649950
N-methyl-N-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-naphthalenesulfonamide (non-preferred name)
CID 2961792
2-(4-{[4-(Tert-butyl)phenyl]sulfonyl}piperazino)pyrimidine
CID 3316727
3-[3-(4-Pyrimidin-2-ylpiperazin-1-yl)propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 15710735
5-Bromo-2-chloro-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 134144394
4-[5-Bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 134148351

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine (CID 1241437) is 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is PDQQUIPHMRAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-25(24,17-7-6-15-4-1-2-5-16(15)14-17)22-12-10-21(11-13-22)18-19-8-3-9-20-18/h1-9,14H,10-13H2.
What are the key properties of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 354.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 1241437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).