4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide

C12H11N3O2S2 — CID 61300772

IUPAC4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C12H11N3O2S2/c13-6-9-1-3-10(4-2-9)7-15-19(16,17)12-5-11(14)8-18-12/h1-5,8,15H,7,14H2
InChIKeyBBJHEAJKOSFSFW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.68
Rot. Bonds4

About 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide

4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 61300772) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide
PubChem CID61300772
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C12H11N3O2S2/c13-6-9-1-3-10(4-2-9)7-15-19(16,17)12-5-11(14)8-18-12/h1-5,8,15H,7,14H2
InChIKeyBBJHEAJKOSFSFW-UHFFFAOYSA-N
XLogP1.68
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-cyanophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322839
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 107212436
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
2-amino-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 61128052
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 61299183
4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
CID 61299780
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 62269124
4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 114698293
N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide
CID 61300366
4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 63362655

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide (CID 61300772) is 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide is N#Cc1ccc(CNS(=O)(=O)c2cc(N)cs2)cc1.
What is the InChIKey of 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is BBJHEAJKOSFSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c13-6-9-1-3-10(4-2-9)7-15-19(16,17)12-5-11(14)8-18-12/h1-5,8,15H,7,14H2.
What are the key properties of 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide?
4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61300772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).