2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C18H15ClN2O3S2 — CID 9314399

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1
InChIInChI=1S/C18H15ClN2O3S2/c19-15-5-1-3-12-4-2-6-16(18(12)15)25-11-17(22)21-13-7-9-14(10-8-13)26(20,23)24/h1-10H,11H2,(H,21,22)(H2,20,23,24)
InChIKeyZOTJTQBHNSBSLG-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.87
Rot. Bonds5

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 9314399) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID9314399
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1
InChIInChI=1S/C18H15ClN2O3S2/c19-15-5-1-3-12-4-2-6-16(18(12)15)25-11-17(22)21-13-7-9-14(10-8-13)26(20,23)24/h1-10H,11H2,(H,21,22)(H2,20,23,24)
InChIKeyZOTJTQBHNSBSLG-UHFFFAOYSA-N
XLogP3.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 27087506
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
N-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46439728
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 4531318
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate
CID 4841505
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
8-[[3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897403

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 9314399) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is ZOTJTQBHNSBSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c19-15-5-1-3-12-4-2-6-16(18(12)15)25-11-17(22)21-13-7-9-14(10-8-13)26(20,23)24/h1-10H,11H2,(H,21,22)(H2,20,23,24).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 406.92 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 9314399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).