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

C7H10F2N2O2S2 — CID 115409051

IUPAC5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCC(F)F)cs1
InChIInChI=1S/C7H10F2N2O2S2/c8-7(9)3-11-15(12,13)6-1-5(2-10)14-4-6/h1,4,7,11H,2-3,10H2
InChIKeyZXPILSJCDYARFI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.75
Rot. Bonds5

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

5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide (PubChem CID 115409051) has the molecular formula C7H10F2N2O2S2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
PubChem CID115409051
Molecular FormulaC7H10F2N2O2S2
Molecular Weight256.30 g/mol
Exact Mass256.02
IUPAC Name5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCC(F)F)cs1
InChIInChI=1S/C7H10F2N2O2S2/c8-7(9)3-11-15(12,13)6-1-5(2-10)14-4-6/h1,4,7,11H,2-3,10H2
InChIKeyZXPILSJCDYARFI-UHFFFAOYSA-N
XLogP0.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 103466132
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
CID 106056951
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106018473

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide (CID 115409051) is 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NCC(F)F)cs1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide?
The InChIKey is ZXPILSJCDYARFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2S2/c8-7(9)3-11-15(12,13)6-1-5(2-10)14-4-6/h1,4,7,11H,2-3,10H2.
What are the key properties of 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide has a molecular weight of 256.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 115409051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).