5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide

C13H18F2N2O2S — CID 65021026

IUPAC5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-8(2)17(7-9-3-4-9)20(18,19)12-6-10(16)5-11(14)13(12)15/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyKEYSJCHYKNKTPB-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.36
Rot. Bonds5

About 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide

5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 65021026) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID65021026
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-8(2)17(7-9-3-4-9)20(18,19)12-6-10(16)5-11(14)13(12)15/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyKEYSJCHYKNKTPB-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide 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 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide (CID 65021026) is 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC1CC1)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KEYSJCHYKNKTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-8(2)17(7-9-3-4-9)20(18,19)12-6-10(16)5-11(14)13(12)15/h5-6,8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 65021026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).