N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide

C24H24ClNO4S — CID 174454774

IUPACN-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1ccc(OCc2ccccc2)c(N(Cc2ccccc2)S(C)(=O)=O)c1Cl
InChIInChI=1S/C24H24ClNO4S/c1-3-21(27)20-14-15-22(30-17-19-12-8-5-9-13-19)24(23(20)25)26(31(2,28)29)16-18-10-6-4-7-11-18/h4-15H,3,16-17H2,1-2H3
InChIKeyGTPNCNWADZAZPM-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.48
Rot. Bonds9

About N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide

N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide (PubChem CID 174454774) has the molecular formula C24H24ClNO4S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide
PubChem CID174454774
Molecular FormulaC24H24ClNO4S
Molecular Weight457.98 g/mol
Exact Mass457.11
IUPAC NameN-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1ccc(OCc2ccccc2)c(N(Cc2ccccc2)S(C)(=O)=O)c1Cl
InChIInChI=1S/C24H24ClNO4S/c1-3-21(27)20-14-15-22(30-17-19-12-8-5-9-13-19)24(23(20)25)26(31(2,28)29)16-18-10-6-4-7-11-18/h4-15H,3,16-17H2,1-2H3
InChIKeyGTPNCNWADZAZPM-UHFFFAOYSA-N
XLogP5.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)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-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide (CID 174454774) is N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide is CCC(=O)c1ccc(OCc2ccccc2)c(N(Cc2ccccc2)S(C)(=O)=O)c1Cl.
What is the InChIKey of N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide?
The InChIKey is GTPNCNWADZAZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4S/c1-3-21(27)20-14-15-22(30-17-19-12-8-5-9-13-19)24(23(20)25)26(31(2,28)29)16-18-10-6-4-7-11-18/h4-15H,3,16-17H2,1-2H3.
What are the key properties of N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide?
N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide has a molecular weight of 457.98 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloro-6-phenylmethoxy-3-propanoylphenyl)methanesulfonamide is sourced from PubChem (CID 174454774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).