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

C17H21N3O2S — CID 90621458

IUPAC2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)c(C)c1
InChIInChI=1S/C17H21N3O2S/c1-13-6-7-16(14(2)11-13)23(21,22)19-15-8-10-20(12-15)17-5-3-4-9-18-17/h3-7,9,11,15,19H,8,10,12H2,1-2H3
InChIKeyGWWQDELVJNXCSD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.26
Rot. Bonds4

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

2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 90621458) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID90621458
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)c(C)c1
InChIInChI=1S/C17H21N3O2S/c1-13-6-7-16(14(2)11-13)23(21,22)19-15-8-10-20(12-15)17-5-3-4-9-18-17/h3-7,9,11,15,19H,8,10,12H2,1-2H3
InChIKeyGWWQDELVJNXCSD-UHFFFAOYSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142903
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99822478
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 99819249
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
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)quinoline-3-sulfonamide
CID 119049752
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (CID 90621458) is 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is GWWQDELVJNXCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-6-7-16(14(2)11-13)23(21,22)19-15-8-10-20(12-15)17-5-3-4-9-18-17/h3-7,9,11,15,19H,8,10,12H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 90621458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).