N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide

C17H22ClN5O2S — CID 167960205

IUPACN-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCc1nc(Cl)cc(N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H22ClN5O2S/c1-14-20-16(18)13-17(21-14)23-11-9-22(10-12-23)8-7-19-26(24,25)15-5-3-2-4-6-15/h2-6,13,19H,7-12H2,1H3
InChIKeyRXUDIARNPWGGJQ-UHFFFAOYSA-N
MW395.92 g/mol
LogP1.54
Rot. Bonds6

About N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide

N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 167960205) has the molecular formula C17H22ClN5O2S and a molecular weight of 395.92 g/mol. Its IUPAC name is N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID167960205
Molecular FormulaC17H22ClN5O2S
Molecular Weight395.92 g/mol
Exact Mass395.12
IUPAC NameN-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCc1nc(Cl)cc(N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H22ClN5O2S/c1-14-20-16(18)13-17(21-14)23-11-9-22(10-12-23)8-7-19-26(24,25)15-5-3-2-4-6-15/h2-6,13,19H,7-12H2,1H3
InChIKeyRXUDIARNPWGGJQ-UHFFFAOYSA-N
XLogP1.54
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204
4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 1476659
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 121074870
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122326376
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492461
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 3975994
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 167960205) is N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide is Cc1nc(Cl)cc(N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is RXUDIARNPWGGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2S/c1-14-20-16(18)13-17(21-14)23-11-9-22(10-12-23)8-7-19-26(24,25)15-5-3-2-4-6-15/h2-6,13,19H,7-12H2,1H3.
What are the key properties of N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 395.92 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 167960205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).