4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide

C20H25ClN2O2S — CID 23604916

IUPAC4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O2S/c1-16-11-13-23(14-12-16)20(17-5-3-2-4-6-17)15-22-26(24,25)19-9-7-18(21)8-10-19/h2-10,16,20,22H,11-15H2,1H3
InChIKeyOUIKVVKFASPIIM-UHFFFAOYSA-N
MW392.95 g/mol
LogP4.09
Rot. Bonds6

About 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide

4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 23604916) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID23604916
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC Name4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O2S/c1-16-11-13-23(14-12-16)20(17-5-3-2-4-6-17)15-22-26(24,25)19-9-7-18(21)8-10-19/h2-10,16,20,22H,11-15H2,1H3
InChIKeyOUIKVVKFASPIIM-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide (CID 23604916) is 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide is CC1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is OUIKVVKFASPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-16-11-13-23(14-12-16)20(17-5-3-2-4-6-17)15-22-26(24,25)19-9-7-18(21)8-10-19/h2-10,16,20,22H,11-15H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 392.95 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 23604916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).