4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide

C16H23ClN2O3S — CID 108566133

IUPAC4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-3-4-16(20)19-11-9-14(10-12-19)18-23(21,22)15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3
InChIKeyJEEZKAWWZIGYCQ-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.80
Rot. Bonds6

About 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide

4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide (PubChem CID 108566133) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
PubChem CID108566133
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-3-4-16(20)19-11-9-14(10-12-19)18-23(21,22)15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3
InChIKeyJEEZKAWWZIGYCQ-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
CID 139613468
4-chloro-N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823741
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
N-[1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34346590
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-[2-(4-chlorophenyl)sulfanylacetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34339552
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide (CID 108566133) is 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide is CCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is JEEZKAWWZIGYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-3-4-16(20)19-11-9-14(10-12-19)18-23(21,22)15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3.
What are the key properties of 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 358.89 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 108566133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).