N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide

C20H15NO2S2 — CID 54515883

IUPACN-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C20H15NO2S2/c22-25(23,17-6-2-1-3-7-17)21-16-12-10-15(11-13-16)19-14-24-20-9-5-4-8-18(19)20/h1-14,21H
InChIKeyYMJKWLKSPZWVDY-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.37
Rot. Bonds4

About N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide

N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide (PubChem CID 54515883) has the molecular formula C20H15NO2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide
PubChem CID54515883
Molecular FormulaC20H15NO2S2
Molecular Weight365.48 g/mol
Exact Mass365.05
IUPAC NameN-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C20H15NO2S2/c22-25(23,17-6-2-1-3-7-17)21-16-12-10-15(11-13-16)19-14-24-20-9-5-4-8-18(19)20/h1-14,21H
InChIKeyYMJKWLKSPZWVDY-UHFFFAOYSA-N
XLogP5.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide (CID 54515883) is N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2csc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide?
The InChIKey is YMJKWLKSPZWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S2/c22-25(23,17-6-2-1-3-7-17)21-16-12-10-15(11-13-16)19-14-24-20-9-5-4-8-18(19)20/h1-14,21H.
What are the key properties of N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide?
N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide has a molecular weight of 365.48 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 54515883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).