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

C18H26Cl2N2O2S — CID 69419845

IUPAC3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C18H26Cl2N2O2S/c1-13-7-9-22(10-8-13)15-4-3-14(11-15)21(2)25(23,24)16-5-6-17(19)18(20)12-16/h5-6,12-15H,3-4,7-11H2,1-2H3
InChIKeyCGEVTRLRNYHSGS-UHFFFAOYSA-N
MW405.39 g/mol
LogP4.27
Rot. Bonds4

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

3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (PubChem CID 69419845) has the molecular formula C18H26Cl2N2O2S and a molecular weight of 405.39 g/mol. Its IUPAC name is 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
PubChem CID69419845
Molecular FormulaC18H26Cl2N2O2S
Molecular Weight405.39 g/mol
Exact Mass404.11
IUPAC Name3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C18H26Cl2N2O2S/c1-13-7-9-22(10-8-13)15-4-3-14(11-15)21(2)25(23,24)16-5-6-17(19)18(20)12-16/h5-6,12-15H,3-4,7-11H2,1-2H3
InChIKeyCGEVTRLRNYHSGS-UHFFFAOYSA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (CID 69419845) is 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide is CC1CCN(C2CCC(N(C)S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)CC1.
What is the InChIKey of 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The InChIKey is CGEVTRLRNYHSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2S/c1-13-7-9-22(10-8-13)15-4-3-14(11-15)21(2)25(23,24)16-5-6-17(19)18(20)12-16/h5-6,12-15H,3-4,7-11H2,1-2H3.
What are the key properties of 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide has a molecular weight of 405.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 69419845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).