N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide

C15H21F3N2O3S — CID 24946179

IUPACN-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O3S/c1-23-8-2-7-19-12-5-6-14(13(9-12)15(16,17)18)24(21,22)20-10-11-3-4-11/h5-6,9,11,19-20H,2-4,7-8,10H2,1H3
InChIKeyCZAXFZMFIGCVEF-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.84
Rot. Bonds9

About N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide

N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946179) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946179
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC NameN-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O3S/c1-23-8-2-7-19-12-5-6-14(13(9-12)15(16,17)18)24(21,22)20-10-11-3-4-11/h5-6,9,11,19-20H,2-4,7-8,10H2,1H3
InChIKeyCZAXFZMFIGCVEF-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide 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-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide (CID 24946179) is N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide is COCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CZAXFZMFIGCVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c1-23-8-2-7-19-12-5-6-14(13(9-12)15(16,17)18)24(21,22)20-10-11-3-4-11/h5-6,9,11,19-20H,2-4,7-8,10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).