5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide

C9H7N3O2S3 — CID 114166198

IUPAC5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2nccs2)s1
InChIInChI=1S/C9H7N3O2S3/c10-5-7-1-2-9(16-7)17(13,14)12-6-8-11-3-4-15-8/h1-4,12H,6H2
InChIKeyAXBNDXPHIMAVFV-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.55
Rot. Bonds4

About 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide

5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 114166198) has the molecular formula C9H7N3O2S3 and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID114166198
Molecular FormulaC9H7N3O2S3
Molecular Weight285.38 g/mol
Exact Mass284.97
IUPAC Name5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2nccs2)s1
InChIInChI=1S/C9H7N3O2S3/c10-5-7-1-2-9(16-7)17(13,14)12-6-8-11-3-4-15-8/h1-4,12H,6H2
InChIKeyAXBNDXPHIMAVFV-UHFFFAOYSA-N
XLogP1.55
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106269751
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106268817

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide (CID 114166198) is 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCc2nccs2)s1.
What is the InChIKey of 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is AXBNDXPHIMAVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S3/c10-5-7-1-2-9(16-7)17(13,14)12-6-8-11-3-4-15-8/h1-4,12H,6H2.
What are the key properties of 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide?
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 285.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).