5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide

C12H10N2O2S3 — CID 106269401

IUPAC5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H10N2O2S3/c1-17-11-5-3-2-4-10(11)14-19(15,16)12-7-6-9(8-13)18-12/h2-7,14H,1H3
InChIKeyRAJZGFVPLOQNTG-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.14
Rot. Bonds4

About 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide

5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide (PubChem CID 106269401) has the molecular formula C12H10N2O2S3 and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
PubChem CID106269401
Molecular FormulaC12H10N2O2S3
Molecular Weight310.43 g/mol
Exact Mass309.99
IUPAC Name5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H10N2O2S3/c1-17-11-5-3-2-4-10(11)14-19(15,16)12-7-6-9(8-13)18-12/h2-7,14H,1H3
InChIKeyRAJZGFVPLOQNTG-UHFFFAOYSA-N
XLogP3.14
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 106266893
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
N-(2-bromo-3-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269296
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 106265871
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 106831770
5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106267712
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide (CID 106269401) is 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide?
The InChIKey is RAJZGFVPLOQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S3/c1-17-11-5-3-2-4-10(11)14-19(15,16)12-7-6-9(8-13)18-12/h2-7,14H,1H3.
What are the key properties of 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide?
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide has a molecular weight of 310.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).