N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide

C17H12ClF3N2O4S2 — CID 70565110

IUPACN-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O4S2/c18-14-9-15(22)13(17(19,20)21)8-16(14)29(26,27)23-28(24,25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23H,22H2
InChIKeyNJWUSXKCNJNNJU-UHFFFAOYSA-N
MW464.87 g/mol
LogP3.76
Rot. Bonds4

About N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide

N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide (PubChem CID 70565110) has the molecular formula C17H12ClF3N2O4S2 and a molecular weight of 464.87 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide
PubChem CID70565110
Molecular FormulaC17H12ClF3N2O4S2
Molecular Weight464.87 g/mol
Exact Mass463.99
IUPAC NameN-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O4S2/c18-14-9-15(22)13(17(19,20)21)8-16(14)29(26,27)23-28(24,25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23H,22H2
InChIKeyNJWUSXKCNJNNJU-UHFFFAOYSA-N
XLogP3.76
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.87
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide 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-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide?
The IUPAC name of N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide (CID 70565110) is N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide is Nc1cc(Cl)c(S(=O)(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide?
The InChIKey is NJWUSXKCNJNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O4S2/c18-14-9-15(22)13(17(19,20)21)8-16(14)29(26,27)23-28(24,25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23H,22H2.
What are the key properties of N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide?
N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide has a molecular weight of 464.87 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-chloro-5-(trifluoromethyl)phenyl]sulfonylnaphthalene-2-sulfonamide is sourced from PubChem (CID 70565110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).