N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide

C16H17FN2O3S — CID 97313525

IUPACN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccnc1
InChIInChI=1S/C16H17FN2O3S/c17-13-7-5-12(6-8-13)16(15-4-2-10-22-15)19-23(20,21)14-3-1-9-18-11-14/h1,3,5-9,11,15-16,19H,2,4,10H2/t15-,16+/m0/s1
InChIKeyPSNRMQZKGYKFLK-JKSUJKDBSA-N
MW336.39 g/mol
LogP2.42
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide (PubChem CID 97313525) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
PubChem CID97313525
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccnc1
InChIInChI=1S/C16H17FN2O3S/c17-13-7-5-12(6-8-13)16(15-4-2-10-22-15)19-23(20,21)14-3-1-9-18-11-14/h1,3,5-9,11,15-16,19H,2,4,10H2/t15-,16+/m0/s1
InChIKeyPSNRMQZKGYKFLK-JKSUJKDBSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
5-bromo-2-chloro-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 95579014
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
CID 94640588
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
[oxolan-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105229176
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
CID 101180255
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651397
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651394
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide (CID 97313525) is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide is O=S(=O)(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccnc1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is PSNRMQZKGYKFLK-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-13-7-5-12(6-8-13)16(15-4-2-10-22-15)19-23(20,21)14-3-1-9-18-11-14/h1,3,5-9,11,15-16,19H,2,4,10H2/t15-,16+/m0/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 336.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 97313525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).