N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide

C10H12F2N2O2S — CID 89372928

IUPACN-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)c(N)c(F)c1C1CC1
InChIInChI=1S/C10H12F2N2O2S/c1-17(15,16)14-7-4-6(11)10(13)9(12)8(7)5-2-3-5/h4-5,14H,2-3,13H2,1H3
InChIKeyOTSIIEQWBSITAG-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.80
Rot. Bonds3

About N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide

N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide (PubChem CID 89372928) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide
PubChem CID89372928
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC NameN-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)c(N)c(F)c1C1CC1
InChIInChI=1S/C10H12F2N2O2S/c1-17(15,16)14-7-4-6(11)10(13)9(12)8(7)5-2-3-5/h4-5,14H,2-3,13H2,1H3
InChIKeyOTSIIEQWBSITAG-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide (CID 89372928) is N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(F)c(N)c(F)c1C1CC1.
What is the InChIKey of N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide?
The InChIKey is OTSIIEQWBSITAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c1-17(15,16)14-7-4-6(11)10(13)9(12)8(7)5-2-3-5/h4-5,14H,2-3,13H2,1H3.
What are the key properties of N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide?
N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide has a molecular weight of 262.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyclopropyl-3,5-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 89372928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).