3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride

C18H28Cl2N2O2S — CID 69420299

IUPAC3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3cccc(Cl)c3)C2)CC1.Cl
InChIInChI=1S/C18H27ClN2O2S.ClH/c1-14-8-10-21(11-9-14)17-7-6-16(13-17)20(2)24(22,23)18-5-3-4-15(19)12-18;/h3-5,12,14,16-17H,6-11,13H2,1-2H3;1H
InChIKeyFSAJEPDHUGHNMG-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.04
Rot. Bonds4

About 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride

3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride (PubChem CID 69420299) has the molecular formula C18H28Cl2N2O2S and a molecular weight of 407.41 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
PubChem CID69420299
Molecular FormulaC18H28Cl2N2O2S
Molecular Weight407.41 g/mol
Exact Mass406.12
IUPAC Name3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3cccc(Cl)c3)C2)CC1.Cl
InChIInChI=1S/C18H27ClN2O2S.ClH/c1-14-8-10-21(11-9-14)17-7-6-16(13-17)20(2)24(22,23)18-5-3-4-15(19)12-18;/h3-5,12,14,16-17H,6-11,13H2,1-2H3;1H
InChIKeyFSAJEPDHUGHNMG-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
CID 69420374
3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
CID 69419845
N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride
CID 10288813
N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride
CID 69420248
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
CID 69422411
N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
CID 69419874
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-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
CID 70035700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride (CID 69420299) is 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride is CC1CCN(C2CCC(N(C)S(=O)(=O)c3cccc(Cl)c3)C2)CC1.Cl.
What is the InChIKey of 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
The InChIKey is FSAJEPDHUGHNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2S.ClH/c1-14-8-10-21(11-9-14)17-7-6-16(13-17)20(2)24(22,23)18-5-3-4-15(19)12-18;/h3-5,12,14,16-17H,6-11,13H2,1-2H3;1H.
What are the key properties of 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride has a molecular weight of 407.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 69420299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).