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

C8H7N5O3S2 — CID 114166842

IUPAC5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C8H7N5O3S2/c1-16-8-10-7(11-12-8)13-18(14,15)6-3-2-5(4-9)17-6/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyGXNBGKCSGREBSF-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.55
Rot. Bonds4

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

5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide (PubChem CID 114166842) has the molecular formula C8H7N5O3S2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
PubChem CID114166842
Molecular FormulaC8H7N5O3S2
Molecular Weight285.31 g/mol
Exact Mass285.00
IUPAC Name5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C8H7N5O3S2/c1-16-8-10-7(11-12-8)13-18(14,15)6-3-2-5(4-9)17-6/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyGXNBGKCSGREBSF-UHFFFAOYSA-N
XLogP0.55
TPSA120.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83093723
5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
CID 114166841
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 83093255
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 113456578
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 83101526
5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide
CID 106272595
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 83098109
2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzenesulfonamide
CID 83097924
5-cyano-N-(5-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 106266766

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide (CID 114166842) is 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide is COc1n[nH]c(NS(=O)(=O)c2ccc(C#N)s2)n1.
What is the InChIKey of 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is GXNBGKCSGREBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3S2/c1-16-8-10-7(11-12-8)13-18(14,15)6-3-2-5(4-9)17-6/h2-3H,1H3,(H2,10,11,12,13).
What are the key properties of 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide?
5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 285.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).