4-(1-benzothiophen-2-yl)benzenesulfonamide

C14H11NO2S2 — CID 127029023

IUPAC4-(1-benzothiophen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H11NO2S2/c15-19(16,17)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)18-14/h1-9H,(H2,15,16,17)
InChIKeyDJCAHYJNGAOVQP-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.22
Rot. Bonds2

About 4-(1-benzothiophen-2-yl)benzenesulfonamide

4-(1-benzothiophen-2-yl)benzenesulfonamide (PubChem CID 127029023) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)benzenesulfonamide
PubChem CID127029023
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC Name4-(1-benzothiophen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H11NO2S2/c15-19(16,17)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)18-14/h1-9H,(H2,15,16,17)
InChIKeyDJCAHYJNGAOVQP-UHFFFAOYSA-N
XLogP3.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1-benzothiophen-2-yl)benzenesulfonamide (CID 127029023) is 4-(1-benzothiophen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-benzothiophen-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc3ccccc3s2)cc1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)benzenesulfonamide?
The InChIKey is DJCAHYJNGAOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c15-19(16,17)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)18-14/h1-9H,(H2,15,16,17).
What are the key properties of 4-(1-benzothiophen-2-yl)benzenesulfonamide?
4-(1-benzothiophen-2-yl)benzenesulfonamide has a molecular weight of 289.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)benzenesulfonamide is sourced from PubChem (CID 127029023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).