N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H16ClN5O3S3 — CID 4781437

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CSc2n[nH]c(-c3cccs3)n2)ccc1Cl
InChIInChI=1S/C16H16ClN5O3S3/c1-22(2)28(24,25)13-8-10(5-6-11(13)17)18-14(23)9-27-16-19-15(20-21-16)12-4-3-7-26-12/h3-8H,9H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyRFRMORFONAPWGS-UHFFFAOYSA-N
MW457.99 g/mol
LogP3.17
Rot. Bonds7

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 4781437) has the molecular formula C16H16ClN5O3S3 and a molecular weight of 457.99 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID4781437
Molecular FormulaC16H16ClN5O3S3
Molecular Weight457.99 g/mol
Exact Mass457.01
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CSc2n[nH]c(-c3cccs3)n2)ccc1Cl
InChIInChI=1S/C16H16ClN5O3S3/c1-22(2)28(24,25)13-8-10(5-6-11(13)17)18-14(23)9-27-16-19-15(20-21-16)12-4-3-7-26-12/h3-8H,9H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyRFRMORFONAPWGS-UHFFFAOYSA-N
XLogP3.17
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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CID 2464859
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
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2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 4781437) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CSc2n[nH]c(-c3cccs3)n2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RFRMORFONAPWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3S3/c1-22(2)28(24,25)13-8-10(5-6-11(13)17)18-14(23)9-27-16-19-15(20-21-16)12-4-3-7-26-12/h3-8H,9H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 457.99 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4781437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).