5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

C20H25ClN2O3S — CID 71730048

IUPAC5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-26-19-10-7-17(21)15-20(19)27(24,25)22-18-8-5-16(6-9-18)11-14-23-12-3-2-4-13-23/h5-10,15,22H,2-4,11-14H2,1H3
InChIKeyHTVJAZFLCLDXHC-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.18
Rot. Bonds7

About 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (PubChem CID 71730048) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
PubChem CID71730048
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-26-19-10-7-17(21)15-20(19)27(24,25)22-18-8-5-16(6-9-18)11-14-23-12-3-2-4-13-23/h5-10,15,22H,2-4,11-14H2,1H3
InChIKeyHTVJAZFLCLDXHC-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (CID 71730048) is 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The InChIKey is HTVJAZFLCLDXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-26-19-10-7-17(21)15-20(19)27(24,25)22-18-8-5-16(6-9-18)11-14-23-12-3-2-4-13-23/h5-10,15,22H,2-4,11-14H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide has a molecular weight of 408.95 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71730048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).