2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide

C23H27Cl3N2O2S — CID 22266355

IUPAC2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H27Cl3N2O2S/c24-18-9-7-16(8-10-18)15-17-11-13-28(14-12-17)21-5-2-4-20(21)27-31(29,30)22-6-1-3-19(25)23(22)26/h1,3,6-10,17,20-21,27H,2,4-5,11-15H2
InChIKeyGEUITUSBRBDINA-UHFFFAOYSA-N
MW501.91 g/mol
LogP5.80
Rot. Bonds6

About 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide

2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide (PubChem CID 22266355) has the molecular formula C23H27Cl3N2O2S and a molecular weight of 501.91 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide
PubChem CID22266355
Molecular FormulaC23H27Cl3N2O2S
Molecular Weight501.91 g/mol
Exact Mass500.09
IUPAC Name2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H27Cl3N2O2S/c24-18-9-7-16(8-10-18)15-17-11-13-28(14-12-17)21-5-2-4-20(21)27-31(29,30)22-6-1-3-19(25)23(22)26/h1,3,6-10,17,20-21,27H,2,4-5,11-15H2
InChIKeyGEUITUSBRBDINA-UHFFFAOYSA-N
XLogP5.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.91
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide (CID 22266355) is 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide is O=S(=O)(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide?
The InChIKey is GEUITUSBRBDINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl3N2O2S/c24-18-9-7-16(8-10-18)15-17-11-13-28(14-12-17)21-5-2-4-20(21)27-31(29,30)22-6-1-3-19(25)23(22)26/h1,3,6-10,17,20-21,27H,2,4-5,11-15H2.
What are the key properties of 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide?
2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide has a molecular weight of 501.91 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 22266355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).