3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide

C14H12ClNO3S2 — CID 154795104

IUPAC3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1CSc2ccccc21)c1cccc(Cl)c1O
InChIInChI=1S/C14H12ClNO3S2/c15-10-5-3-7-13(14(10)17)21(18,19)16-11-8-20-12-6-2-1-4-9(11)12/h1-7,11,16-17H,8H2
InChIKeyGGIPCNVPHXMWOV-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide

3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide (PubChem CID 154795104) has the molecular formula C14H12ClNO3S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide
PubChem CID154795104
Molecular FormulaC14H12ClNO3S2
Molecular Weight341.84 g/mol
Exact Mass340.99
IUPAC Name3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1CSc2ccccc21)c1cccc(Cl)c1O
InChIInChI=1S/C14H12ClNO3S2/c15-10-5-3-7-13(14(10)17)21(18,19)16-11-8-20-12-6-2-1-4-9(11)12/h1-7,11,16-17H,8H2
InChIKeyGGIPCNVPHXMWOV-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide (CID 154795104) is 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide is O=S(=O)(NC1CSc2ccccc21)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide?
The InChIKey is GGIPCNVPHXMWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S2/c15-10-5-3-7-13(14(10)17)21(18,19)16-11-8-20-12-6-2-1-4-9(11)12/h1-7,11,16-17H,8H2.
What are the key properties of 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide?
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide has a molecular weight of 341.84 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1-benzothiophen-3-yl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 154795104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).