1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide

C17H16FNO3S3 — CID 121170190

IUPAC1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H16FNO3S3/c18-15-4-1-3-13(9-15)11-25(21,22)19-12-17(20,14-6-8-23-10-14)16-5-2-7-24-16/h1-10,19-20H,11-12H2
InChIKeyIXOBKBOKFMEFPM-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.30
Rot. Bonds7

About 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide

1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 121170190) has the molecular formula C17H16FNO3S3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID121170190
Molecular FormulaC17H16FNO3S3
Molecular Weight397.52 g/mol
Exact Mass397.03
IUPAC Name1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H16FNO3S3/c18-15-4-1-3-13(9-15)11-25(21,22)19-12-17(20,14-6-8-23-10-14)16-5-2-7-24-16/h1-10,19-20H,11-12H2
InChIKeyIXOBKBOKFMEFPM-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233
1-(1,2-benzoxazol-3-yl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 126852474
4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 129417818
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
CID 124878125
(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
CID 124878567
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 121170202
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 121170206

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide (CID 121170190) is 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCC(O)(c1ccsc1)c1cccs1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is IXOBKBOKFMEFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S3/c18-15-4-1-3-13(9-15)11-25(21,22)19-12-17(20,14-6-8-23-10-14)16-5-2-7-24-16/h1-10,19-20H,11-12H2.
What are the key properties of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide?
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 121170190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).