4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide

C15H11Cl2NO2S2 — CID 2811647

IUPAC4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2S2/c16-11-1-4-13(5-2-11)22(19,20)18-8-10-9-21-15-6-3-12(17)7-14(10)15/h1-7,9,18H,8H2
InChIKeyVWGRBZJHUSCDRC-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.69
Rot. Bonds4

About 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide

4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide (PubChem CID 2811647) has the molecular formula C15H11Cl2NO2S2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
PubChem CID2811647
Molecular FormulaC15H11Cl2NO2S2
Molecular Weight372.30 g/mol
Exact Mass370.96
IUPAC Name4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2S2/c16-11-1-4-13(5-2-11)22(19,20)18-8-10-9-21-15-6-3-12(17)7-14(10)15/h1-7,9,18H,8H2
InChIKeyVWGRBZJHUSCDRC-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide (CID 2811647) is 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
The InChIKey is VWGRBZJHUSCDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S2/c16-11-1-4-13(5-2-11)22(19,20)18-8-10-9-21-15-6-3-12(17)7-14(10)15/h1-7,9,18H,8H2.
What are the key properties of 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide has a molecular weight of 372.30 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2811647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).