N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide

C8H10N4O2S3 — CID 108781522

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
SMILESCCSc1n[nH]c(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C8H10N4O2S3/c1-2-15-8-9-7(10-11-8)12-17(13,14)6-4-3-5-16-6/h3-5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyMSGCESCXLDWBLT-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.78
Rot. Bonds5

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide (PubChem CID 108781522) has the molecular formula C8H10N4O2S3 and a molecular weight of 290.40 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
PubChem CID108781522
Molecular FormulaC8H10N4O2S3
Molecular Weight290.40 g/mol
Exact Mass290.00
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
SMILESCCSc1n[nH]c(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C8H10N4O2S3/c1-2-15-8-9-7(10-11-8)12-17(13,14)6-4-3-5-16-6/h3-5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyMSGCESCXLDWBLT-UHFFFAOYSA-N
XLogP1.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 108781539
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 5019580
N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
CID 46908186
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine
CID 139946314
2-chloro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25036859
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine
CID 108773944
N-[4-[1-(ethylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 43508090

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide (CID 108781522) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide is CCSc1n[nH]c(NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is MSGCESCXLDWBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S3/c1-2-15-8-9-7(10-11-8)12-17(13,14)6-4-3-5-16-6/h3-5H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 290.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 108781522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).