N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide

C21H25ClN2O4S — CID 53103863

IUPACN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-8-7-18(15-19(20)22)29(26,27)23-12-9-16-10-13-24(14-11-16)21(25)17-5-3-2-4-6-17/h2-8,15-16,23H,9-14H2,1H3
InChIKeyXDYASCWRAFCRKX-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 53103863) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
PubChem CID53103863
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-8-7-18(15-19(20)22)29(26,27)23-12-9-16-10-13-24(14-11-16)21(25)17-5-3-2-4-6-17/h2-8,15-16,23H,9-14H2,1H3
InChIKeyXDYASCWRAFCRKX-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103804
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803
3-chloro-4-methoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 99967101
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
CID 110287612

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide (CID 53103863) is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is XDYASCWRAFCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-28-20-8-7-18(15-19(20)22)29(26,27)23-12-9-16-10-13-24(14-11-16)21(25)17-5-3-2-4-6-17/h2-8,15-16,23H,9-14H2,1H3.
What are the key properties of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide has a molecular weight of 436.96 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 53103863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).