2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide

C19H22N6O2S — CID 53168095

IUPAC2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cnn(-c2ncc(N3CCCC3)cn2)c1
InChIInChI=1S/C19H22N6O2S/c1-2-15-7-3-4-8-18(15)28(26,27)23-16-11-22-25(14-16)19-20-12-17(13-21-19)24-9-5-6-10-24/h3-4,7-8,11-14,23H,2,5-6,9-10H2,1H3
InChIKeyDGRREUWYLMMXTA-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.63
Rot. Bonds6

About 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide

2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 53168095) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID53168095
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cnn(-c2ncc(N3CCCC3)cn2)c1
InChIInChI=1S/C19H22N6O2S/c1-2-15-7-3-4-8-18(15)28(26,27)23-16-11-22-25(14-16)19-20-12-17(13-21-19)24-9-5-6-10-24/h3-4,7-8,11-14,23H,2,5-6,9-10H2,1H3
InChIKeyDGRREUWYLMMXTA-UHFFFAOYSA-N
XLogP2.63
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53167977
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 62146252
3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53167988
3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53168015
5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 53168005
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299488
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 53168034
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122298773
4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 17383692

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide (CID 53168095) is 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide is CCc1ccccc1S(=O)(=O)Nc1cnn(-c2ncc(N3CCCC3)cn2)c1.
What is the InChIKey of 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is DGRREUWYLMMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-2-15-7-3-4-8-18(15)28(26,27)23-16-11-22-25(14-16)19-20-12-17(13-21-19)24-9-5-6-10-24/h3-4,7-8,11-14,23H,2,5-6,9-10H2,1H3.
What are the key properties of 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide?
2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 53168095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).