5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide

C11H10F2N2O2S2 — CID 106058021

IUPAC5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cc(F)ccc2F)cs1
InChIInChI=1S/C11H10F2N2O2S2/c12-7-1-2-10(13)11(3-7)15-19(16,17)9-4-8(5-14)18-6-9/h1-4,6,15H,5,14H2
InChIKeyJOKRLYWAJIRYAR-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.29
Rot. Bonds4

About 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide (PubChem CID 106058021) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
PubChem CID106058021
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC Name5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cc(F)ccc2F)cs1
InChIInChI=1S/C11H10F2N2O2S2/c12-7-1-2-10(13)11(3-7)15-19(16,17)9-4-8(5-14)18-6-9/h1-4,6,15H,5,14H2
InChIKeyJOKRLYWAJIRYAR-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)thiophene-3-sulfonamide
CID 106087283
5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
CID 106083113
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
CID 106057499
5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
CID 106057752
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide (CID 106058021) is 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2cc(F)ccc2F)cs1.
What is the InChIKey of 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide?
The InChIKey is JOKRLYWAJIRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c12-7-1-2-10(13)11(3-7)15-19(16,17)9-4-8(5-14)18-6-9/h1-4,6,15H,5,14H2.
What are the key properties of 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide has a molecular weight of 304.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106058021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).