N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide

C7H11F2N3O2S — CID 114384097

IUPACN-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C7H11F2N3O2S/c8-7(9,4-10)5-12-15(13,14)6-1-2-11-3-6/h1-3,11-12H,4-5,10H2
InChIKeyOYLVTXHIMIVNEX-UHFFFAOYSA-N
MW239.25 g/mol
LogP-0.11
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide

N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114384097) has the molecular formula C7H11F2N3O2S and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide
PubChem CID114384097
Molecular FormulaC7H11F2N3O2S
Molecular Weight239.25 g/mol
Exact Mass239.05
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C7H11F2N3O2S/c8-7(9,4-10)5-12-15(13,14)6-1-2-11-3-6/h1-3,11-12H,4-5,10H2
InChIKeyOYLVTXHIMIVNEX-UHFFFAOYSA-N
XLogP-0.11
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide (CID 114384097) is N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide is NCC(F)(F)CNS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is OYLVTXHIMIVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2S/c8-7(9,4-10)5-12-15(13,14)6-1-2-11-3-6/h1-3,11-12H,4-5,10H2.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 239.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114384097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).