4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide

C20H23ClN2O3S — CID 50823468

IUPAC4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O3S/c1-15-4-2-3-5-16(15)14-20(24)23-12-10-18(11-13-23)22-27(25,26)19-8-6-17(21)7-9-19/h2-9,18,22H,10-14H2,1H3
InChIKeyFOGCECXLQNNSNN-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.16
Rot. Bonds5

About 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide

4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 50823468) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
PubChem CID50823468
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O3S/c1-15-4-2-3-5-16(15)14-20(24)23-12-10-18(11-13-23)22-27(25,26)19-8-6-17(21)7-9-19/h2-9,18,22H,10-14H2,1H3
InChIKeyFOGCECXLQNNSNN-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823527
[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
CID 71985156
5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
CID 139613468
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
4-chloro-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108564277
4-chloro-N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823741
N-[1-[2-(4-chlorophenyl)sulfanylacetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34339552
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide (CID 50823468) is 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide is Cc1ccccc1CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is FOGCECXLQNNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-4-2-3-5-16(15)14-20(24)23-12-10-18(11-13-23)22-27(25,26)19-8-6-17(21)7-9-19/h2-9,18,22H,10-14H2,1H3.
What are the key properties of 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 50823468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).