N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide

C14H18F2N2O3S — CID 51097293

IUPACN-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C14H18F2N2O3S/c1-9(14(19)17-11-4-2-3-5-11)18-22(20,21)13-7-6-10(15)8-12(13)16/h6-9,11,18H,2-5H2,1H3,(H,17,19)
InChIKeyKQHBLVAMVLBEMW-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.69
Rot. Bonds5

About N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide

N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 51097293) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID51097293
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC NameN-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C14H18F2N2O3S/c1-9(14(19)17-11-4-2-3-5-11)18-22(20,21)13-7-6-10(15)8-12(13)16/h6-9,11,18H,2-5H2,1H3,(H,17,19)
InChIKeyKQHBLVAMVLBEMW-UHFFFAOYSA-N
XLogP1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide (CID 51097293) is N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(F)cc1F)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is KQHBLVAMVLBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-9(14(19)17-11-4-2-3-5-11)18-22(20,21)13-7-6-10(15)8-12(13)16/h6-9,11,18H,2-5H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide?
N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 332.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 51097293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).