N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide

C10H15F2N3O2S — CID 113304047

IUPACN-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H15F2N3O2S/c1-2-5-13-10-8(4-3-6-14-10)18(16,17)15-7-9(11)12/h3-4,6,9,15H,2,5,7H2,1H3,(H,13,14)
InChIKeyGMCHWKTYMTXWBW-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.45
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide

N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 113304047) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID113304047
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC NameN-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H15F2N3O2S/c1-2-5-13-10-8(4-3-6-14-10)18(16,17)15-7-9(11)12/h3-4,6,9,15H,2,5,7H2,1H3,(H,13,14)
InChIKeyGMCHWKTYMTXWBW-UHFFFAOYSA-N
XLogP1.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63925751
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62149101
2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106240994

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide (CID 113304047) is N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is GMCHWKTYMTXWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-2-5-13-10-8(4-3-6-14-10)18(16,17)15-7-9(11)12/h3-4,6,9,15H,2,5,7H2,1H3,(H,13,14).
What are the key properties of N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 113304047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).