4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

C13H14FNO3S2 — CID 90496827

IUPAC4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3S2/c1-9-6-7-19-13(9)12(16)8-15-20(17,18)11-4-2-10(14)3-5-11/h2-7,12,15-16H,8H2,1H3
InChIKeyUMMUQKOVMPHZQV-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.21
Rot. Bonds5

About 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 90496827) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID90496827
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC Name4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3S2/c1-9-6-7-19-13(9)12(16)8-15-20(17,18)11-4-2-10(14)3-5-11/h2-7,12,15-16H,8H2,1H3
InChIKeyUMMUQKOVMPHZQV-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 95367028
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
CID 90496859
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90496874
2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 71781699
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 95367046
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90496858
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781686
4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 90496827) is 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is UMMUQKOVMPHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-9-6-7-19-13(9)12(16)8-15-20(17,18)11-4-2-10(14)3-5-11/h2-7,12,15-16H,8H2,1H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90496827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).