2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide

C10H13BrF2N2O3S — CID 115409144

IUPAC2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C10H13BrF2N2O3S/c11-10-8(19(16,17)15-5-9(12)13)3-7(18-10)4-14-6-1-2-6/h3,6,9,14-15H,1-2,4-5H2
InChIKeyGEHPSPANSJFLTF-UHFFFAOYSA-N
MW359.19 g/mol
LogP1.84
Rot. Bonds7

About 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide

2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide (PubChem CID 115409144) has the molecular formula C10H13BrF2N2O3S and a molecular weight of 359.19 g/mol. Its IUPAC name is 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide
PubChem CID115409144
Molecular FormulaC10H13BrF2N2O3S
Molecular Weight359.19 g/mol
Exact Mass357.98
IUPAC Name2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C10H13BrF2N2O3S/c11-10-8(19(16,17)15-5-9(12)13)3-7(18-10)4-14-6-1-2-6/h3,6,9,14-15H,1-2,4-5H2
InChIKeyGEHPSPANSJFLTF-UHFFFAOYSA-N
XLogP1.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
CID 106051655
2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
CID 106055474
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 115409035
3-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-methylbenzenesulfonamide
CID 115409061
5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701683
2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084232
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)propyl]-2-methylfuran-3-sulfonamide
CID 106017188
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
3-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 115409081
4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide (CID 115409144) is 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide is O=S(=O)(NCC(F)F)c1cc(CNC2CC2)oc1Br.
What is the InChIKey of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide?
The InChIKey is GEHPSPANSJFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O3S/c11-10-8(19(16,17)15-5-9(12)13)3-7(18-10)4-14-6-1-2-6/h3,6,9,14-15H,1-2,4-5H2.
What are the key properties of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide?
2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide has a molecular weight of 359.19 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide is sourced from PubChem (CID 115409144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).