4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide

C16H21N5O2S — CID 146138394

IUPAC4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide
SMILESCC(c1ncccn1)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H21N5O2S/c1-13(16-18-7-2-8-19-16)20-9-11-21(12-10-20)14-3-5-15(6-4-14)24(17,22)23/h2-8,13H,9-12H2,1H3,(H2,17,22,23)
InChIKeyPVCMGLJFUMEWRH-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.01
Rot. Bonds4

About 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide

4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 146138394) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide
PubChem CID146138394
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide
SMILESCC(c1ncccn1)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H21N5O2S/c1-13(16-18-7-2-8-19-16)20-9-11-21(12-10-20)14-3-5-15(6-4-14)24(17,22)23/h2-8,13H,9-12H2,1H3,(H2,17,22,23)
InChIKeyPVCMGLJFUMEWRH-UHFFFAOYSA-N
XLogP1.01
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfaperin
CID 68933
Acetylsulfadiazine
CID 64952
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898
DB-02197
CID 5288527
N-(2-Methoxyethyl)-4-((4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL)pyrimidin-2-YL)amino)benzenesulfonamide
CID 24963033
Sulfamerazine Sodium
CID 15899899
Gsk837149A
CID 57519517

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide (CID 146138394) is 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide is CC(c1ncccn1)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is PVCMGLJFUMEWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-13(16-18-7-2-8-19-16)20-9-11-21(12-10-20)14-3-5-15(6-4-14)24(17,22)23/h2-8,13H,9-12H2,1H3,(H2,17,22,23).
What are the key properties of 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 146138394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).