4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride

C20H32Cl2N2O2S — CID 69422411

IUPAC4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C2CCC(N3CCC(C)CC3)C2)c(C)cc1Cl.Cl
InChIInChI=1S/C20H31ClN2O2S.ClH/c1-14-7-9-23(10-8-14)18-6-5-17(13-18)22(4)26(24,25)20-12-15(2)19(21)11-16(20)3;/h11-12,14,17-18H,5-10,13H2,1-4H3;1H
InChIKeyQFOVCJQNBPNGBJ-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.65
Rot. Bonds4

About 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride

4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride (PubChem CID 69422411) has the molecular formula C20H32Cl2N2O2S and a molecular weight of 435.46 g/mol. Its IUPAC name is 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
PubChem CID69422411
Molecular FormulaC20H32Cl2N2O2S
Molecular Weight435.46 g/mol
Exact Mass434.16
IUPAC Name4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C2CCC(N3CCC(C)CC3)C2)c(C)cc1Cl.Cl
InChIInChI=1S/C20H31ClN2O2S.ClH/c1-14-7-9-23(10-8-14)18-6-5-17(13-18)22(4)26(24,25)20-12-15(2)19(21)11-16(20)3;/h11-12,14,17-18H,5-10,13H2,1-4H3;1H
InChIKeyQFOVCJQNBPNGBJ-UHFFFAOYSA-N
XLogP4.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride (CID 69422411) is 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)N(C)C2CCC(N3CCC(C)CC3)C2)c(C)cc1Cl.Cl.
What is the InChIKey of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
The InChIKey is QFOVCJQNBPNGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O2S.ClH/c1-14-7-9-23(10-8-14)18-6-5-17(13-18)22(4)26(24,25)20-12-15(2)19(21)11-16(20)3;/h11-12,14,17-18H,5-10,13H2,1-4H3;1H.
What are the key properties of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride?
4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride has a molecular weight of 435.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 69422411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).