N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide

C13H27FN2O4S2 — CID 170176096

IUPACN-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC1CC(C)(CF)NS(=O)(=O)C(C)C
InChIInChI=1S/C13H27FN2O4S2/c1-9(2)21(17,18)15-12-6-11(12)7-13(5,8-14)16-22(19,20)10(3)4/h9-12,15-16H,6-8H2,1-5H3
InChIKeyJDSVTNWAQBCRJQ-UHFFFAOYSA-N
MW358.50 g/mol
LogP1.15
Rot. Bonds9

About N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide

N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide (PubChem CID 170176096) has the molecular formula C13H27FN2O4S2 and a molecular weight of 358.50 g/mol. Its IUPAC name is N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide
PubChem CID170176096
Molecular FormulaC13H27FN2O4S2
Molecular Weight358.50 g/mol
Exact Mass358.14
IUPAC NameN-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC1CC(C)(CF)NS(=O)(=O)C(C)C
InChIInChI=1S/C13H27FN2O4S2/c1-9(2)21(17,18)15-12-6-11(12)7-13(5,8-14)16-22(19,20)10(3)4/h9-12,15-16H,6-8H2,1-5H3
InChIKeyJDSVTNWAQBCRJQ-UHFFFAOYSA-N
XLogP1.15
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide (CID 170176096) is N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC1CC(C)(CF)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide?
The InChIKey is JDSVTNWAQBCRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O4S2/c1-9(2)21(17,18)15-12-6-11(12)7-13(5,8-14)16-22(19,20)10(3)4/h9-12,15-16H,6-8H2,1-5H3.
What are the key properties of N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide?
N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide has a molecular weight of 358.50 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide is sourced from PubChem (CID 170176096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).