4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide

C19H30ClN3O2S — CID 92669885

IUPAC4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCCCN1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H30ClN3O2S/c1-2-11-22-12-14-23(15-13-22)19-6-4-3-5-18(19)21-26(24,25)17-9-7-16(20)8-10-17/h7-10,18-19,21H,2-6,11-15H2,1H3/t18-,19-/m0/s1
InChIKeyIQXJVRJAURXOOR-OALUTQOASA-N
MW399.99 g/mol
LogP2.96
Rot. Bonds6

About 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide

4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (PubChem CID 92669885) has the molecular formula C19H30ClN3O2S and a molecular weight of 399.99 g/mol. Its IUPAC name is 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
PubChem CID92669885
Molecular FormulaC19H30ClN3O2S
Molecular Weight399.99 g/mol
Exact Mass399.17
IUPAC Name4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCCCN1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H30ClN3O2S/c1-2-11-22-12-14-23(15-13-22)19-6-4-3-5-18(19)21-26(24,25)17-9-7-16(20)8-10-17/h7-10,18-19,21H,2-6,11-15H2,1H3/t18-,19-/m0/s1
InChIKeyIQXJVRJAURXOOR-OALUTQOASA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
CID 3148616
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
N-[(1S,2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexyl]-4-chlorobenzenesulfonamide
CID 92669889
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
4-chloro-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784722
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679
N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
CID 155770202
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
CID 124772278
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (CID 92669885) is 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is CCCN1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is IQXJVRJAURXOOR-OALUTQOASA-N. The full InChI is InChI=1S/C19H30ClN3O2S/c1-2-11-22-12-14-23(15-13-22)19-6-4-3-5-18(19)21-26(24,25)17-9-7-16(20)8-10-17/h7-10,18-19,21H,2-6,11-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 399.99 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 92669885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).