3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide

C15H15ClN2O3S2 — CID 4213399

IUPAC3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCSc2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O3S2/c16-13-6-1-2-7-14(13)22-9-8-15(19)18-11-4-3-5-12(10-11)23(17,20)21/h1-7,10H,8-9H2,(H,18,19)(H2,17,20,21)
InChIKeyDBMKJPMWEZPYGN-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.11
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide

3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide (PubChem CID 4213399) has the molecular formula C15H15ClN2O3S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
PubChem CID4213399
Molecular FormulaC15H15ClN2O3S2
Molecular Weight370.88 g/mol
Exact Mass370.02
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCSc2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O3S2/c16-13-6-1-2-7-14(13)22-9-8-15(19)18-11-4-3-5-12(10-11)23(17,20)21/h1-7,10H,8-9H2,(H,18,19)(H2,17,20,21)
InChIKeyDBMKJPMWEZPYGN-UHFFFAOYSA-N
XLogP3.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide (CID 4213399) is 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cccc(NC(=O)CCSc2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is DBMKJPMWEZPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S2/c16-13-6-1-2-7-14(13)22-9-8-15(19)18-11-4-3-5-12(10-11)23(17,20)21/h1-7,10H,8-9H2,(H,18,19)(H2,17,20,21).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide?
3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 370.88 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 4213399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).