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

C20H31ClN2O2S — CID 69421048

IUPAC4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCC(N3CCC(C)CC3)C2)c(C)cc1Cl
InChIInChI=1S/C20H31ClN2O2S/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
InChIKeyFVJQMLGGVMCOFY-UHFFFAOYSA-N
MW399.00 g/mol
LogP4.23
Rot. Bonds4

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

4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (PubChem CID 69421048) has the molecular formula C20H31ClN2O2S and a molecular weight of 399.00 g/mol. Its IUPAC name is 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
PubChem CID69421048
Molecular FormulaC20H31ClN2O2S
Molecular Weight399.00 g/mol
Exact Mass398.18
IUPAC Name4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCC(N3CCC(C)CC3)C2)c(C)cc1Cl
InChIInChI=1S/C20H31ClN2O2S/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
InChIKeyFVJQMLGGVMCOFY-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.00
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-((2,4-Dichloro-6-methylphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308369
1-[1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146666937
N1-(1-benzyl-4-piperidyl)-4-chloro-2,5-dimethylbenzene-1-sulfonamide
CID 2729542
4-{1-[(4-Chloro-2,5-dimethylphenyl)sulfonyl]-3-piperidinyl}morpholine
CID 23724042
1-[(4-Chloro-2,5-dimethylphenyl)sulfonyl]-4-ethylpiperazine
CID 6465434
1-(4-Chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
CID 971270
1-((4-Chloro-3-methylphenyl)sulfonyl)-2,6-dimethylpiperidine
CID 2897670
4-chloro-N,2,5-trimethyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]benzenesulfonamide;hydrochloride
CID 10289000
4-chloro-N,2,5-trimethyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]benzenesulfonamide
CID 10289001
4-chloro-N,2,5-trimethyl-N-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]benzenesulfonamide
CID 69419638
4-chloro-N,2,5-trimethyl-N-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]benzenesulfonamide;hydrochloride
CID 69421191
4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 9264334

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (CID 69421048) is 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C2CCC(N3CCC(C)CC3)C2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The InChIKey is FVJQMLGGVMCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O2S/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.
What are the key properties of 4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide has a molecular weight of 399.00 g/mol, XLogP of 4.23, 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 is sourced from PubChem (CID 69421048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).