4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide

C16H24ClN3O2S — CID 3148616

IUPAC4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O2S/c17-13-5-7-14(8-6-13)23(21,22)19-15-3-1-2-4-16(15)20-11-9-18-10-12-20/h5-8,15-16,18-19H,1-4,9-12H2
InChIKeyKFCVGEQJNNKFAJ-UHFFFAOYSA-N
MW357.91 g/mol
LogP1.83
Rot. Bonds4

About 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide

4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide (PubChem CID 3148616) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
PubChem CID3148616
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O2S/c17-13-5-7-14(8-6-13)23(21,22)19-15-3-1-2-4-16(15)20-11-9-18-10-12-20/h5-8,15-16,18-19H,1-4,9-12H2
InChIKeyKFCVGEQJNNKFAJ-UHFFFAOYSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 92669885
4-chloro-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784722
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-[(1S,2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexyl]-4-chlorobenzenesulfonamide
CID 92669889
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
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide (CID 3148616) is 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1N1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide?
The InChIKey is KFCVGEQJNNKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2S/c17-13-5-7-14(8-6-13)23(21,22)19-15-3-1-2-4-16(15)20-11-9-18-10-12-20/h5-8,15-16,18-19H,1-4,9-12H2.
What are the key properties of 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide?
4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide has a molecular weight of 357.91 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 3148616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).