2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide

C24H35N3O2S — CID 121145097

IUPAC2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CCN(c3ccccn3)C2)c(C(C)C)c1
InChIInChI=1S/C24H35N3O2S/c1-16(2)19-13-21(17(3)4)24(22(14-19)18(5)6)30(28,29)26-20-10-12-27(15-20)23-9-7-8-11-25-23/h7-9,11,13-14,16-18,20,26H,10,12,15H2,1-6H3
InChIKeyXGZSDWZXPAZZOT-UHFFFAOYSA-N
MW429.63 g/mol
LogP5.01
Rot. Bonds7

About 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide

2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 121145097) has the molecular formula C24H35N3O2S and a molecular weight of 429.63 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID121145097
Molecular FormulaC24H35N3O2S
Molecular Weight429.63 g/mol
Exact Mass429.24
IUPAC Name2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CCN(c3ccccn3)C2)c(C(C)C)c1
InChIInChI=1S/C24H35N3O2S/c1-16(2)19-13-21(17(3)4)24(22(14-19)18(5)6)30(28,29)26-20-10-12-27(15-20)23-9-7-8-11-25-23/h7-9,11,13-14,16-18,20,26H,10,12,15H2,1-6H3
InChIKeyXGZSDWZXPAZZOT-UHFFFAOYSA-N
XLogP5.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.63
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-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

4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99822478
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
CID 119049752
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (CID 121145097) is 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CCN(c3ccccn3)C2)c(C(C)C)c1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is XGZSDWZXPAZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2S/c1-16(2)19-13-21(17(3)4)24(22(14-19)18(5)6)30(28,29)26-20-10-12-27(15-20)23-9-7-8-11-25-23/h7-9,11,13-14,16-18,20,26H,10,12,15H2,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 429.63 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 121145097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).