N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C18H22N4O4S — CID 71810103

IUPACN-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H22N4O4S/c23-18(20-15-11-19-22(12-15)16-7-10-26-13-16)14-3-5-17(6-4-14)27(24,25)21-8-1-2-9-21/h3-6,11-12,16H,1-2,7-10,13H2,(H,20,23)
InChIKeyPTSZTNCXQAWSOO-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.88
Rot. Bonds5

About N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 71810103) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID71810103
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H22N4O4S/c23-18(20-15-11-19-22(12-15)16-7-10-26-13-16)14-3-5-17(6-4-14)27(24,25)21-8-1-2-9-21/h3-6,11-12,16H,1-2,7-10,13H2,(H,20,23)
InChIKeyPTSZTNCXQAWSOO-UHFFFAOYSA-N
XLogP1.88
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 71810103) is N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cnn(C2CCOC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PTSZTNCXQAWSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c23-18(20-15-11-19-22(12-15)16-7-10-26-13-16)14-3-5-17(6-4-14)27(24,25)21-8-1-2-9-21/h3-6,11-12,16H,1-2,7-10,13H2,(H,20,23).
What are the key properties of N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 390.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)pyrazol-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 71810103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).