N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide

C17H16FNO3S2 — CID 91630881

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C17H16FNO3S2/c1-11-8-12(18)6-7-17(11)24(21,22)19-9-15(20)14-10-23-16-5-3-2-4-13(14)16/h2-8,10,15,19-20H,9H2,1H3
InChIKeyRQNOTJIERRLMCI-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 91630881) has the molecular formula C17H16FNO3S2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID91630881
Molecular FormulaC17H16FNO3S2
Molecular Weight365.45 g/mol
Exact Mass365.06
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C17H16FNO3S2/c1-11-8-12(18)6-7-17(11)24(21,22)19-9-15(20)14-10-23-16-5-3-2-4-13(14)16/h2-8,10,15,19-20H,9H2,1H3
InChIKeyRQNOTJIERRLMCI-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide (CID 91630881) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(O)c1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is RQNOTJIERRLMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S2/c1-11-8-12(18)6-7-17(11)24(21,22)19-9-15(20)14-10-23-16-5-3-2-4-13(14)16/h2-8,10,15,19-20H,9H2,1H3.
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 91630881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).