5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide

C12H11ClFNO3S2 — CID 71911383

IUPAC5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNO3S2/c13-11-5-6-12(19-11)20(17,18)15-7-10(16)8-3-1-2-4-9(8)14/h1-6,10,15-16H,7H2
InChIKeyOZKDPWRNKKPRDW-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.55
Rot. Bonds5

About 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide (PubChem CID 71911383) has the molecular formula C12H11ClFNO3S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide
PubChem CID71911383
Molecular FormulaC12H11ClFNO3S2
Molecular Weight335.81 g/mol
Exact Mass334.99
IUPAC Name5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNO3S2/c13-11-5-6-12(19-11)20(17,18)15-7-10(16)8-3-1-2-4-9(8)14/h1-6,10,15-16H,7H2
InChIKeyOZKDPWRNKKPRDW-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)-3-thiophenesulfonamide
CID 2812772
5-chloro-N-[(2S,3R)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 44571713
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
CID 44571759
5-chloro-N-[(2S,3R)-1-hydroxy-3-phenyloctan-2-yl]thiophene-2-sulfonamide
CID 44571757
3-chloro-4-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 52992633
4-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-3-methylbenzenesulfonamide
CID 56764044
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5-methylthiophene-2-sulfonamide
CID 56765475
5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 71781999
2-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 71782491
2-chloro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787852
5-Chloro-n-((2s,3r)-3-(3,5-difluorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 57552320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide (CID 71911383) is 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(O)c1ccccc1F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide?
The InChIKey is OZKDPWRNKKPRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO3S2/c13-11-5-6-12(19-11)20(17,18)15-7-10(16)8-3-1-2-4-9(8)14/h1-6,10,15-16H,7H2.
What are the key properties of 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide has a molecular weight of 335.81 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71911383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).