2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide

C13H13F2NO3S2 — CID 75522004

IUPAC2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCC(O)c2ccsc2)cc1F
InChIInChI=1S/C13H13F2NO3S2/c1-8-4-11(15)13(5-10(8)14)21(18,19)16-6-12(17)9-2-3-20-7-9/h2-5,7,12,16-17H,6H2,1H3
InChIKeyBSCQHRIHKZLQCS-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.35
Rot. Bonds5

About 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide

2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide (PubChem CID 75522004) has the molecular formula C13H13F2NO3S2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
PubChem CID75522004
Molecular FormulaC13H13F2NO3S2
Molecular Weight333.38 g/mol
Exact Mass333.03
IUPAC Name2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCC(O)c2ccsc2)cc1F
InChIInChI=1S/C13H13F2NO3S2/c1-8-4-11(15)13(5-10(8)14)21(18,19)16-6-12(17)9-2-3-20-7-9/h2-5,7,12,16-17H,6H2,1H3
InChIKeyBSCQHRIHKZLQCS-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide (CID 75522004) is 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide is Cc1cc(F)c(S(=O)(=O)NCC(O)c2ccsc2)cc1F.
What is the InChIKey of 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide?
The InChIKey is BSCQHRIHKZLQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3S2/c1-8-4-11(15)13(5-10(8)14)21(18,19)16-6-12(17)9-2-3-20-7-9/h2-5,7,12,16-17H,6H2,1H3.
What are the key properties of 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide?
2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide has a molecular weight of 333.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 75522004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).