1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

C24H30ClN3O3S — CID 45489216

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O3S/c25-21-8-10-22(11-9-21)32(30,31)28-16-12-20(13-17-28)24(29)26-23(18-27-14-4-5-15-27)19-6-2-1-3-7-19/h1-3,6-11,20,23H,4-5,12-18H2,(H,26,29)
InChIKeyAUXAKKVQNNUGAN-UHFFFAOYSA-N
MW476.04 g/mol
LogP3.69
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 45489216) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID45489216
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O3S/c25-21-8-10-22(11-9-21)32(30,31)28-16-12-20(13-17-28)24(29)26-23(18-27-14-4-5-15-27)19-6-2-1-3-7-19/h1-3,6-11,20,23H,4-5,12-18H2,(H,26,29)
InChIKeyAUXAKKVQNNUGAN-UHFFFAOYSA-N
XLogP3.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.04
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 45489216) is 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is O=C(NC(CN1CCCC1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is AUXAKKVQNNUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c25-21-8-10-22(11-9-21)32(30,31)28-16-12-20(13-17-28)24(29)26-23(18-27-14-4-5-15-27)19-6-2-1-3-7-19/h1-3,6-11,20,23H,4-5,12-18H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 476.04 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45489216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).