N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide

C14H16FNO3S2 — CID 97067960

IUPACN-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](O)c2ccccc2F)c(C)s1
InChIInChI=1S/C14H16FNO3S2/c1-9-7-14(10(2)20-9)21(18,19)16-8-13(17)11-5-3-4-6-12(11)15/h3-7,13,16-17H,8H2,1-2H3/t13-/m1/s1
InChIKeyKTAXOXNTQWKEJQ-CYBMUJFWSA-N
MW329.42 g/mol
LogP2.52
Rot. Bonds5

About N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide

N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 97067960) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID97067960
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC NameN-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](O)c2ccccc2F)c(C)s1
InChIInChI=1S/C14H16FNO3S2/c1-9-7-14(10(2)20-9)21(18,19)16-8-13(17)11-5-3-4-6-12(11)15/h3-7,13,16-17H,8H2,1-2H3/t13-/m1/s1
InChIKeyKTAXOXNTQWKEJQ-CYBMUJFWSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide (CID 97067960) is N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC[C@@H](O)c2ccccc2F)c(C)s1.
What is the InChIKey of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is KTAXOXNTQWKEJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-9-7-14(10(2)20-9)21(18,19)16-8-13(17)11-5-3-4-6-12(11)15/h3-7,13,16-17H,8H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide?
N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 97067960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).