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

C18H27ClN2O2S — CID 69420374

IUPAC4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-14-9-11-21(12-10-14)17-6-5-16(13-17)20(2)24(22,23)18-7-3-15(19)4-8-18/h3-4,7-8,14,16-17H,5-6,9-13H2,1-2H3
InChIKeyIGYYKMBXJXJJSP-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.61
Rot. Bonds4

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

4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (PubChem CID 69420374) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
PubChem CID69420374
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-14-9-11-21(12-10-14)17-6-5-16(13-17)20(2)24(22,23)18-7-3-15(19)4-8-18/h3-4,7-8,14,16-17H,5-6,9-13H2,1-2H3
InChIKeyIGYYKMBXJXJJSP-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (CID 69420374) is 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide is CC1CCN(C2CCC(N(C)S(=O)(=O)c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The InChIKey is IGYYKMBXJXJJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c1-14-9-11-21(12-10-14)17-6-5-16(13-17)20(2)24(22,23)18-7-3-15(19)4-8-18/h3-4,7-8,14,16-17H,5-6,9-13H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide has a molecular weight of 370.95 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 69420374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).