N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride

C22H29ClN2O2S — CID 67913410

IUPACN-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc2c(c1)CCCC2CN1CCC(c2ccccc2)C1.Cl
InChIInChI=1S/C22H28N2O2S.ClH/c1-27(25,26)23-21-10-11-22-18(14-21)8-5-9-20(22)16-24-13-12-19(15-24)17-6-3-2-4-7-17;/h2-4,6-7,10-11,14,19-20,23H,5,8-9,12-13,15-16H2,1H3;1H
InChIKeyBFCAKGMCLFVARH-UHFFFAOYSA-N
MW421.01 g/mol
LogP4.39
Rot. Bonds5

About N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride

N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride (PubChem CID 67913410) has the molecular formula C22H29ClN2O2S and a molecular weight of 421.01 g/mol. Its IUPAC name is N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride
PubChem CID67913410
Molecular FormulaC22H29ClN2O2S
Molecular Weight421.01 g/mol
Exact Mass420.16
IUPAC NameN-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc2c(c1)CCCC2CN1CCC(c2ccccc2)C1.Cl
InChIInChI=1S/C22H28N2O2S.ClH/c1-27(25,26)23-21-10-11-22-18(14-21)8-5-9-20(22)16-24-13-12-19(15-24)17-6-3-2-4-7-17;/h2-4,6-7,10-11,14,19-20,23H,5,8-9,12-13,15-16H2,1H3;1H
InChIKeyBFCAKGMCLFVARH-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.01
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride (CID 67913410) is N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1ccc2c(c1)CCCC2CN1CCC(c2ccccc2)C1.Cl.
What is the InChIKey of N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride?
The InChIKey is BFCAKGMCLFVARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S.ClH/c1-27(25,26)23-21-10-11-22-18(14-21)8-5-9-20(22)16-24-13-12-19(15-24)17-6-3-2-4-7-17;/h2-4,6-7,10-11,14,19-20,23H,5,8-9,12-13,15-16H2,1H3;1H.
What are the key properties of N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride?
N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride has a molecular weight of 421.01 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 67913410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).