N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

C20H22ClN3O4S2 — CID 43059108

IUPACN-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(C1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H22ClN3O4S2/c21-15-3-1-4-17(12-15)24-13-14(11-18(24)25)20(26)23-8-6-16(7-9-23)22-30(27,28)19-5-2-10-29-19/h1-5,10,12,14,16,22H,6-9,11,13H2
InChIKeyCCBIERMCMXATRS-UHFFFAOYSA-N
MW468.00 g/mol
LogP2.72
Rot. Bonds5

About N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 43059108) has the molecular formula C20H22ClN3O4S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID43059108
Molecular FormulaC20H22ClN3O4S2
Molecular Weight468.00 g/mol
Exact Mass467.07
IUPAC NameN-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(C1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H22ClN3O4S2/c21-15-3-1-4-17(12-15)24-13-14(11-18(24)25)20(26)23-8-6-16(7-9-23)22-30(27,28)19-5-2-10-29-19/h1-5,10,12,14,16,22H,6-9,11,13H2
InChIKeyCCBIERMCMXATRS-UHFFFAOYSA-N
XLogP2.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 42953107
1-(3-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42652474
(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29137343
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655263
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42582568
1-(3-chlorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 43058688
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 17482603

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 43059108) is N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is O=C(C1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is CCBIERMCMXATRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S2/c21-15-3-1-4-17(12-15)24-13-14(11-18(24)25)20(26)23-8-6-16(7-9-23)22-30(27,28)19-5-2-10-29-19/h1-5,10,12,14,16,22H,6-9,11,13H2.
What are the key properties of N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 468.00 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 43059108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).