4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide

C11H8F4N2O2S2 — CID 106087571

IUPAC4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C11H8F4N2O2S2/c12-6-2-7(13)10(15)11(9(6)14)17-21(18,19)8-1-5(3-16)4-20-8/h1-2,4,17H,3,16H2
InChIKeyRPCSKOKTTBRITF-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.56
Rot. Bonds4

About 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide (PubChem CID 106087571) has the molecular formula C11H8F4N2O2S2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
PubChem CID106087571
Molecular FormulaC11H8F4N2O2S2
Molecular Weight340.32 g/mol
Exact Mass340.00
IUPAC Name4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C11H8F4N2O2S2/c12-6-2-7(13)10(15)11(9(6)14)17-21(18,19)8-1-5(3-16)4-20-8/h1-2,4,17H,3,16H2
InChIKeyRPCSKOKTTBRITF-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 106052083
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 106073992
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
CID 106084249
4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide (CID 106087571) is 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
The InChIKey is RPCSKOKTTBRITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O2S2/c12-6-2-7(13)10(15)11(9(6)14)17-21(18,19)8-1-5(3-16)4-20-8/h1-2,4,17H,3,16H2.
What are the key properties of 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide has a molecular weight of 340.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106087571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).