4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide

C14H16FNO3S2 — CID 99981347

IUPAC4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)ccc1F
InChIInChI=1S/C14H16FNO3S2/c1-10-8-12(2-3-13(10)15)21(18,19)16-6-4-14(17)11-5-7-20-9-11/h2-3,5,7-9,14,16-17H,4,6H2,1H3/t14-/m1/s1
InChIKeyCJVFFOMXEXDLQW-CQSZACIVSA-N
MW329.42 g/mol
LogP2.60
Rot. Bonds6

About 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide

4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide (PubChem CID 99981347) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
PubChem CID99981347
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)ccc1F
InChIInChI=1S/C14H16FNO3S2/c1-10-8-12(2-3-13(10)15)21(18,19)16-6-4-14(17)11-5-7-20-9-11/h2-3,5,7-9,14,16-17H,4,6H2,1H3/t14-/m1/s1
InChIKeyCJVFFOMXEXDLQW-CQSZACIVSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 121132245
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide (CID 99981347) is 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide?
The InChIKey is CJVFFOMXEXDLQW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-8-12(2-3-13(10)15)21(18,19)16-6-4-14(17)11-5-7-20-9-11/h2-3,5,7-9,14,16-17H,4,6H2,1H3/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 99981347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).