5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide

C12H11N3O4S3 — CID 26947458

IUPAC5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H11N3O4S3/c13-7-9-1-4-11(5-2-9)22(18,19)15-8-10-3-6-12(20-10)21(14,16)17/h1-6,15H,8H2,(H2,14,16,17)
InChIKeyANCXRUUEVKIOCG-UHFFFAOYSA-N
MW357.44 g/mol
LogP0.75
Rot. Bonds5

About 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide

5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide (PubChem CID 26947458) has the molecular formula C12H11N3O4S3 and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
PubChem CID26947458
Molecular FormulaC12H11N3O4S3
Molecular Weight357.44 g/mol
Exact Mass356.99
IUPAC Name5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H11N3O4S3/c13-7-9-1-4-11(5-2-9)22(18,19)15-8-10-3-6-12(20-10)21(14,16)17/h1-6,15H,8H2,(H2,14,16,17)
InChIKeyANCXRUUEVKIOCG-UHFFFAOYSA-N
XLogP0.75
TPSA130.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 43242482
5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581151
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
CID 64899350
4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 61127357
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
[4-[[(4-cyanophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191393
5-bromo-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]triazole-4-sulfonamide
CID 106466786

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide (CID 26947458) is 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
The InChIKey is ANCXRUUEVKIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S3/c13-7-9-1-4-11(5-2-9)22(18,19)15-8-10-3-6-12(20-10)21(14,16)17/h1-6,15H,8H2,(H2,14,16,17).
What are the key properties of 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 26947458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).