N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide

C21H25ClN2O3S — CID 108566573

IUPACN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-2-9-20(10-3-16)28(26,27)23-19-12-14-24(15-13-19)21(25)11-6-17-4-7-18(22)8-5-17/h2-5,7-10,19,23H,6,11-15H2,1H3
InChIKeyUAJVXCXEZNGSPK-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.55
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 108566573) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID108566573
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-2-9-20(10-3-16)28(26,27)23-19-12-14-24(15-13-19)21(25)11-6-17-4-7-18(22)8-5-17/h2-5,7-10,19,23H,6,11-15H2,1H3
InChIKeyUAJVXCXEZNGSPK-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
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
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
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
N-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823518
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide (CID 108566573) is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is UAJVXCXEZNGSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-16-2-9-20(10-3-16)28(26,27)23-19-12-14-24(15-13-19)21(25)11-6-17-4-7-18(22)8-5-17/h2-5,7-10,19,23H,6,11-15H2,1H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 420.96 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 108566573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).