5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide

C18H27ClN2O2S — CID 16887743

IUPAC5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-14-6-7-16(19)12-18(14)24(22,23)20-13-15-8-10-21(11-9-15)17-4-2-3-5-17/h6-7,12,15,17,20H,2-5,8-11,13H2,1H3
InChIKeyMZXPHFOKCSTESH-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.58
Rot. Bonds5

About 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide

5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 16887743) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID16887743
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-14-6-7-16(19)12-18(14)24(22,23)20-13-15-8-10-21(11-9-15)17-4-2-3-5-17/h6-7,12,15,17,20H,2-5,8-11,13H2,1H3
InChIKeyMZXPHFOKCSTESH-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide (CID 16887743) is 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is MZXPHFOKCSTESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c1-14-6-7-16(19)12-18(14)24(22,23)20-13-15-8-10-21(11-9-15)17-4-2-3-5-17/h6-7,12,15,17,20H,2-5,8-11,13H2,1H3.
What are the key properties of 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 370.95 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 16887743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).