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

C11H10F2N2O2S2 — CID 106017490

IUPAC4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C11H10F2N2O2S2/c12-8-2-1-3-9(11(8)13)15-19(16,17)10-4-7(5-14)6-18-10/h1-4,6,15H,5,14H2
InChIKeyXKMMCPUYOXPWFU-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.29
Rot. Bonds4

About 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide (PubChem CID 106017490) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
PubChem CID106017490
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC Name4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C11H10F2N2O2S2/c12-8-2-1-3-9(11(8)13)15-19(16,17)10-4-7(5-14)6-18-10/h1-4,6,15H,5,14H2
InChIKeyXKMMCPUYOXPWFU-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

4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
CID 106048429
4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide
CID 107971341
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 106018431
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 106052083
4-amino-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61299391
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
CID 106084249
4-amino-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55118253

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide (CID 106017490) is 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide?
The InChIKey is XKMMCPUYOXPWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c12-8-2-1-3-9(11(8)13)15-19(16,17)10-4-7(5-14)6-18-10/h1-4,6,15H,5,14H2.
What are the key properties of 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-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 4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106017490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).