5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide

C18H24ClN3O2S2 — CID 142666629

IUPAC5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C(c2ccc(Cl)s2)C(c2ccccc2)CN1C
InChIInChI=1S/C18H24ClN3O2S2/c1-4-21(5-2)26(23,24)22-18(16-11-12-17(19)25-16)15(13-20(22)3)14-9-7-6-8-10-14/h6-12,15,18H,4-5,13H2,1-3H3
InChIKeyOHHWFKLWERUGDG-UHFFFAOYSA-N
MW414.00 g/mol
LogP3.98
Rot. Bonds6

About 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide

5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide (PubChem CID 142666629) has the molecular formula C18H24ClN3O2S2 and a molecular weight of 414.00 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide
PubChem CID142666629
Molecular FormulaC18H24ClN3O2S2
Molecular Weight414.00 g/mol
Exact Mass413.10
IUPAC Name5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C(c2ccc(Cl)s2)C(c2ccccc2)CN1C
InChIInChI=1S/C18H24ClN3O2S2/c1-4-21(5-2)26(23,24)22-18(16-11-12-17(19)25-16)15(13-20(22)3)14-9-7-6-8-10-14/h6-12,15,18H,4-5,13H2,1-3H3
InChIKeyOHHWFKLWERUGDG-UHFFFAOYSA-N
XLogP3.98
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.00
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide (CID 142666629) is 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1C(c2ccc(Cl)s2)C(c2ccccc2)CN1C.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide?
The InChIKey is OHHWFKLWERUGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S2/c1-4-21(5-2)26(23,24)22-18(16-11-12-17(19)25-16)15(13-20(22)3)14-9-7-6-8-10-14/h6-12,15,18H,4-5,13H2,1-3H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide?
5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide has a molecular weight of 414.00 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide is sourced from PubChem (CID 142666629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).