2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide

C12H12ClNO3S2 — CID 71782491

IUPAC2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C12H12ClNO3S2/c13-9-4-1-2-6-12(9)19(16,17)14-8-10(15)11-5-3-7-18-11/h1-7,10,14-15H,8H2
InChIKeyKZVMPSKTSNBUOW-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.41
Rot. Bonds5

About 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide

2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 71782491) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID71782491
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC Name2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C12H12ClNO3S2/c13-9-4-1-2-6-12(9)19(16,17)14-8-10(15)11-5-3-7-18-11/h1-7,10,14-15H,8H2
InChIKeyKZVMPSKTSNBUOW-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide (CID 71782491) is 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is KZVMPSKTSNBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c13-9-4-1-2-6-12(9)19(16,17)14-8-10(15)11-5-3-7-18-11/h1-7,10,14-15H,8H2.
What are the key properties of 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide?
2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 71782491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).