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

C15H16ClN3O2S — CID 90621517

IUPAC4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2S/c16-12-4-6-14(7-5-12)22(20,21)18-13-8-10-19(11-13)15-3-1-2-9-17-15/h1-7,9,13,18H,8,10-11H2
InChIKeyHNNSKYBAODIYIH-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.29
Rot. Bonds4

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

4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 90621517) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID90621517
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2S/c16-12-4-6-14(7-5-12)22(20,21)18-13-8-10-19(11-13)15-3-1-2-9-17-15/h1-7,9,13,18H,8,10-11H2
InChIKeyHNNSKYBAODIYIH-UHFFFAOYSA-N
XLogP2.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
4-(3-chlorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99875676
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
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
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-3-sulfonamide
CID 124603595
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide (CID 90621517) is 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is O=S(=O)(NC1CCN(c2ccccn2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is HNNSKYBAODIYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-12-4-6-14(7-5-12)22(20,21)18-13-8-10-19(11-13)15-3-1-2-9-17-15/h1-7,9,13,18H,8,10-11H2.
What are the key properties of 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide?
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 90621517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).