N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

C22H28ClN3O2S — CID 94784679

IUPACN-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O2S/c23-18-7-6-8-19(17-18)25-13-15-26(16-14-25)22-12-5-4-11-21(22)24-29(27,28)20-9-2-1-3-10-20/h1-3,6-10,17,21-22,24H,4-5,11-16H2/t21-,22-/m0/s1
InChIKeyMBKJPVCOWJBZMX-VXKWHMMOSA-N
MW434.01 g/mol
LogP3.75
Rot. Bonds5

About N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 94784679) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID94784679
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC NameN-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O2S/c23-18-7-6-8-19(17-18)25-13-15-26(16-14-25)22-12-5-4-11-21(22)24-29(27,28)20-9-2-1-3-10-20/h1-3,6-10,17,21-22,24H,4-5,11-16H2/t21-,22-/m0/s1
InChIKeyMBKJPVCOWJBZMX-VXKWHMMOSA-N
XLogP3.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784690
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 94784704
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
4-chloro-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784722
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 92669885
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
CID 80661956
1-N-[(1R,2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 164573209
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 94784679) is N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is MBKJPVCOWJBZMX-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H28ClN3O2S/c23-18-7-6-8-19(17-18)25-13-15-26(16-14-25)22-12-5-4-11-21(22)24-29(27,28)20-9-2-1-3-10-20/h1-3,6-10,17,21-22,24H,4-5,11-16H2/t21-,22-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 434.01 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 94784679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).