N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

C23H26ClN3O4S — CID 20900935

IUPACN-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C23H26ClN3O4S/c1-23(2)19-13-18(10-11-20(19)26(3)22(23)29)32(30,31)27-12-4-5-15(14-27)21(28)25-17-8-6-16(24)7-9-17/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,28)
InChIKeyGBFAZCSCJCEJFF-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.63
Rot. Bonds4

About N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 20900935) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID20900935
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C23H26ClN3O4S/c1-23(2)19-13-18(10-11-20(19)26(3)22(23)29)32(30,31)27-12-4-5-15(14-27)21(28)25-17-8-6-16(24)7-9-17/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,28)
InChIKeyGBFAZCSCJCEJFF-UHFFFAOYSA-N
XLogP3.63
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 20900935) is N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)ccc21.
What is the InChIKey of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GBFAZCSCJCEJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-23(2)19-13-18(10-11-20(19)26(3)22(23)29)32(30,31)27-12-4-5-15(14-27)21(28)25-17-8-6-16(24)7-9-17/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20900935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).