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

C16H18FN3O3S — CID 90621475

IUPAC3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1F
InChIInChI=1S/C16H18FN3O3S/c1-23-15-6-5-13(10-14(15)17)24(21,22)19-12-7-9-20(11-12)16-4-2-3-8-18-16/h2-6,8,10,12,19H,7,9,11H2,1H3
InChIKeyROJMRTYPBXVHAS-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.79
Rot. Bonds5

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

3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 90621475) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID90621475
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1F
InChIInChI=1S/C16H18FN3O3S/c1-23-15-6-5-13(10-14(15)17)24(21,22)19-12-7-9-20(11-12)16-4-2-3-8-18-16/h2-6,8,10,12,19H,7,9,11H2,1H3
InChIKeyROJMRTYPBXVHAS-UHFFFAOYSA-N
XLogP1.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
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
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
CID 119049752
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
4-(3-chlorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99875676
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-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (CID 90621475) is 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)C2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is ROJMRTYPBXVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-23-15-6-5-13(10-14(15)17)24(21,22)19-12-7-9-20(11-12)16-4-2-3-8-18-16/h2-6,8,10,12,19H,7,9,11H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 90621475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).