4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide

C18H23N3O2S — CID 90621471

IUPAC4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C18H23N3O2S/c1-14(2)15-6-8-17(9-7-15)24(22,23)20-16-10-12-21(13-16)18-5-3-4-11-19-18/h3-9,11,14,16,20H,10,12-13H2,1-2H3
InChIKeySFVBXQIVJXCJMC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.76
Rot. Bonds5

About 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide

4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 90621471) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID90621471
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C18H23N3O2S/c1-14(2)15-6-8-17(9-7-15)24(22,23)20-16-10-12-21(13-16)18-5-3-4-11-19-18/h3-9,11,14,16,20H,10,12-13H2,1-2H3
InChIKeySFVBXQIVJXCJMC-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 121145097
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
4-(3-chlorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99875676
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
CID 119049752
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99875681
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-3-sulfonamide
CID 124603595
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (CID 90621471) is 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is SFVBXQIVJXCJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(2)15-6-8-17(9-7-15)24(22,23)20-16-10-12-21(13-16)18-5-3-4-11-19-18/h3-9,11,14,16,20H,10,12-13H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 90621471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).