N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride

C25H35ClN2O3S — CID 10288813

IUPACN-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride
SMILESCC1CCN([C@H]2CC[C@@H](N(C)S(=O)(=O)c3cccc(OCc4ccccc4)c3)C2)CC1.Cl
InChIInChI=1S/C25H34N2O3S.ClH/c1-20-13-15-27(16-14-20)23-12-11-22(17-23)26(2)31(28,29)25-10-6-9-24(18-25)30-19-21-7-4-3-5-8-21;/h3-10,18,20,22-23H,11-17,19H2,1-2H3;1H/t22-,23+;/m1./s1
InChIKeyZKLLHVAXRNBDDV-RFPXDPOKSA-N
MW479.09 g/mol
LogP4.96
Rot. Bonds7

About N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride

N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride (PubChem CID 10288813) has the molecular formula C25H35ClN2O3S and a molecular weight of 479.09 g/mol. Its IUPAC name is N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride
PubChem CID10288813
Molecular FormulaC25H35ClN2O3S
Molecular Weight479.09 g/mol
Exact Mass478.21
IUPAC NameN-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride
SMILESCC1CCN([C@H]2CC[C@@H](N(C)S(=O)(=O)c3cccc(OCc4ccccc4)c3)C2)CC1.Cl
InChIInChI=1S/C25H34N2O3S.ClH/c1-20-13-15-27(16-14-20)23-12-11-22(17-23)26(2)31(28,29)25-10-6-9-24(18-25)30-19-21-7-4-3-5-8-21;/h3-10,18,20,22-23H,11-17,19H2,1-2H3;1H/t22-,23+;/m1./s1
InChIKeyZKLLHVAXRNBDDV-RFPXDPOKSA-N
XLogP4.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.09
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
CID 69420299
N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride
CID 69420248
4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
CID 69420374
N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
CID 69419874
N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride
CID 69421630
4,5-dibromo-N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]thiophene-2-sulfonamide;hydrochloride
CID 69422407
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
CID 69419689
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
3-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzoic acid
CID 45396817
3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
CID 91602582
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3916378

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride (CID 10288813) is N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride is CC1CCN([C@H]2CC[C@@H](N(C)S(=O)(=O)c3cccc(OCc4ccccc4)c3)C2)CC1.Cl.
What is the InChIKey of N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride?
The InChIKey is ZKLLHVAXRNBDDV-RFPXDPOKSA-N. The full InChI is InChI=1S/C25H34N2O3S.ClH/c1-20-13-15-27(16-14-20)23-12-11-22(17-23)26(2)31(28,29)25-10-6-9-24(18-25)30-19-21-7-4-3-5-8-21;/h3-10,18,20,22-23H,11-17,19H2,1-2H3;1H/t22-,23+;/m1./s1.
What are the key properties of N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride?
N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride has a molecular weight of 479.09 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 10288813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).