2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H17ClN2O3S2 — CID 2531282

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-3-5-14(6-4-13)23-11-16(20)19-10-9-12-1-7-15(8-2-12)24(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
InChIKeyWFQLPPBJOVRFSP-UHFFFAOYSA-N
MW384.91 g/mol
LogP2.44
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2531282) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2531282
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-3-5-14(6-4-13)23-11-16(20)19-10-9-12-1-7-15(8-2-12)24(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
InChIKeyWFQLPPBJOVRFSP-UHFFFAOYSA-N
XLogP2.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2531282) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is WFQLPPBJOVRFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c17-13-3-5-14(6-4-13)23-11-16(20)19-10-9-12-1-7-15(8-2-12)24(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 384.91 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2531282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).