3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide

C23H18ClNO3S2 — CID 11374485

IUPAC3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccsc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18ClNO3S2/c24-18-9-10-22(28-15-16-5-2-1-3-6-16)21(14-18)23-20(11-12-29-23)17-7-4-8-19(13-17)30(25,26)27/h1-14H,15H2,(H2,25,26,27)
InChIKeyIILDGMMYAPPHGT-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.96
Rot. Bonds6

About 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide

3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 11374485) has the molecular formula C23H18ClNO3S2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide
PubChem CID11374485
Molecular FormulaC23H18ClNO3S2
Molecular Weight455.99 g/mol
Exact Mass455.04
IUPAC Name3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccsc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18ClNO3S2/c24-18-9-10-22(28-15-16-5-2-1-3-6-16)21(14-18)23-20(11-12-29-23)17-7-4-8-19(13-17)30(25,26)27/h1-14H,15H2,(H2,25,26,27)
InChIKeyIILDGMMYAPPHGT-UHFFFAOYSA-N
XLogP5.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide (CID 11374485) is 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccsc2-c2cc(Cl)ccc2OCc2ccccc2)c1.
What is the InChIKey of 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is IILDGMMYAPPHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3S2/c24-18-9-10-22(28-15-16-5-2-1-3-6-16)21(14-18)23-20(11-12-29-23)17-7-4-8-19(13-17)30(25,26)27/h1-14H,15H2,(H2,25,26,27).
What are the key properties of 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 455.99 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2-phenylmethoxyphenyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 11374485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).