N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide

C20H27N5O2S — CID 94784704

IUPACN-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O2S/c26-28(27,17-7-2-1-3-8-17)23-18-9-4-5-10-19(18)24-13-15-25(16-14-24)20-21-11-6-12-22-20/h1-3,6-8,11-12,18-19,23H,4-5,9-10,13-16H2/t18-,19+/m1/s1
InChIKeySXEXJXVZTKBYFH-MOPGFXCFSA-N
MW401.54 g/mol
LogP1.89
Rot. Bonds5

About N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide

N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (PubChem CID 94784704) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
PubChem CID94784704
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O2S/c26-28(27,17-7-2-1-3-8-17)23-18-9-4-5-10-19(18)24-13-15-25(16-14-24)20-21-11-6-12-22-20/h1-3,6-8,11-12,18-19,23H,4-5,9-10,13-16H2/t18-,19+/m1/s1
InChIKeySXEXJXVZTKBYFH-MOPGFXCFSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784690
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679
4-chloro-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784722
1-N-[(1R,2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 164573209
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80997460
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
CID 62158279
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
CID 3148616
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (CID 94784704) is N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is SXEXJXVZTKBYFH-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H27N5O2S/c26-28(27,17-7-2-1-3-8-17)23-18-9-4-5-10-19(18)24-13-15-25(16-14-24)20-21-11-6-12-22-20/h1-3,6-8,11-12,18-19,23H,4-5,9-10,13-16H2/t18-,19+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 401.54 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 94784704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).