4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C21H24ClF3N2O3S — CID 3897515

IUPAC4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24ClF3N2O3S/c22-19-6-8-20(9-7-19)31(28,29)27(11-1-10-26-12-14-30-15-13-26)16-17-2-4-18(5-3-17)21(23,24)25/h2-9H,1,10-16H2
InChIKeyLFHNVCRSNSZFBW-UHFFFAOYSA-N
MW476.95 g/mol
LogP4.27
Rot. Bonds8

About 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3897515) has the molecular formula C21H24ClF3N2O3S and a molecular weight of 476.95 g/mol. Its IUPAC name is 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3897515
Molecular FormulaC21H24ClF3N2O3S
Molecular Weight476.95 g/mol
Exact Mass476.11
IUPAC Name4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24ClF3N2O3S/c22-19-6-8-20(9-7-19)31(28,29)27(11-1-10-26-12-14-30-15-13-26)16-17-2-4-18(5-3-17)21(23,24)25/h2-9H,1,10-16H2
InChIKeyLFHNVCRSNSZFBW-UHFFFAOYSA-N
XLogP4.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]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 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3897515) is 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is LFHNVCRSNSZFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF3N2O3S/c22-19-6-8-20(9-7-19)31(28,29)27(11-1-10-26-12-14-30-15-13-26)16-17-2-4-18(5-3-17)21(23,24)25/h2-9H,1,10-16H2.
What are the key properties of 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 476.95 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3897515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).