3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide

C18H27ClN2O3S — CID 16887744

IUPAC3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1Cl
InChIInChI=1S/C18H27ClN2O3S/c1-24-18-7-6-16(12-17(18)19)25(22,23)20-13-14-8-10-21(11-9-14)15-4-2-3-5-15/h6-7,12,14-15,20H,2-5,8-11,13H2,1H3
InChIKeyDPDPGVORJDZESL-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.28
Rot. Bonds6

About 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide

3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 16887744) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID16887744
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1Cl
InChIInChI=1S/C18H27ClN2O3S/c1-24-18-7-6-16(12-17(18)19)25(22,23)20-13-14-8-10-21(11-9-14)15-4-2-3-5-15/h6-7,12,14-15,20H,2-5,8-11,13H2,1H3
InChIKeyDPDPGVORJDZESL-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide (CID 16887744) is 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is DPDPGVORJDZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-24-18-7-6-16(12-17(18)19)25(22,23)20-13-14-8-10-21(11-9-14)15-4-2-3-5-15/h6-7,12,14-15,20H,2-5,8-11,13H2,1H3.
What are the key properties of 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 386.95 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16887744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).