5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide

C11H10N2O2S3 — CID 106268021

IUPAC5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)s1
InChIInChI=1S/C11H10N2O2S3/c1-8-2-3-10(16-8)7-13-18(14,15)11-5-4-9(6-12)17-11/h2-5,13H,7H2,1H3
InChIKeyBKZQFMZGMMKGTN-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.47
Rot. Bonds4

About 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106268021) has the molecular formula C11H10N2O2S3 and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106268021
Molecular FormulaC11H10N2O2S3
Molecular Weight298.41 g/mol
Exact Mass297.99
IUPAC Name5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)s1
InChIInChI=1S/C11H10N2O2S3/c1-8-2-3-10(16-8)7-13-18(14,15)11-5-4-9(6-12)17-11/h2-5,13H,7H2,1H3
InChIKeyBKZQFMZGMMKGTN-UHFFFAOYSA-N
XLogP2.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 106833079
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 114166204
3-[5-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 77033845
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide (CID 106268021) is 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)s1.
What is the InChIKey of 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is BKZQFMZGMMKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S3/c1-8-2-3-10(16-8)7-13-18(14,15)11-5-4-9(6-12)17-11/h2-5,13H,7H2,1H3.
What are the key properties of 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).