4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide

C20H23ClN2O3S — CID 18455107

IUPAC4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=C1NCCCC1N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-12-18(13-11-17)27(25,26)23(19-9-4-14-22-20(19)24)15-5-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,22,24)
InChIKeyUURKXJIYOWXXSA-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.24
Rot. Bonds7

About 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide

4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 18455107) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID18455107
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=C1NCCCC1N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-12-18(13-11-17)27(25,26)23(19-9-4-14-22-20(19)24)15-5-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,22,24)
InChIKeyUURKXJIYOWXXSA-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-nonyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 11774708
4-chloro-N-(2-oxoazepan-3-yl)-N-(3-phenylprop-2-enyl)benzenesulfonamide
CID 69475560
4-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(3R)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 69472605
methyl 6-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]hexanoate
CID 11339426
N-[(4-benzoylphenyl)methyl]-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 67197354
4-chloro-N-[(2-cyanophenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 18455066
4-chloro-N-[(3-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 18455134
methyl 4-[4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]phenyl]butanoate
CID 69489722
4-chloro-N-[[4-(chloromethyl)phenyl]methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 67196178
2-[4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]phenyl]acetic acid
CID 69491012
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 69489047
N-[(4-aminophenyl)methyl]-4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 18455495

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide (CID 18455107) is 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide is O=C1NCCCC1N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is UURKXJIYOWXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-17-10-12-18(13-11-17)27(25,26)23(19-9-4-14-22-20(19)24)15-5-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,22,24).
What are the key properties of 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide?
4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxopiperidin-3-yl)-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 18455107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).