N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide

C22H22Cl2F3N5O5S — CID 56848554

IUPACN-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
SMILESCS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl
InChIInChI=1S/C22H22Cl2F3N5O5S/c1-38(36,37)30-17(15-4-2-3-5-16(15)24)10-28-19(34)12-32-21(35)31(11-18(33)22(25,26)27)20(29-32)13-6-8-14(23)9-7-13/h2-9,17-18,30,33H,10-12H2,1H3,(H,28,34)/t17?,18-/m0/s1
InChIKeyQDNRLEGWYUOYCH-ZVAWYAOSSA-N
MW596.42 g/mol
LogP2.35
Rot. Bonds10

About N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide

N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide (PubChem CID 56848554) has the molecular formula C22H22Cl2F3N5O5S and a molecular weight of 596.42 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
PubChem CID56848554
Molecular FormulaC22H22Cl2F3N5O5S
Molecular Weight596.42 g/mol
Exact Mass595.07
IUPAC NameN-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
SMILESCS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl
InChIInChI=1S/C22H22Cl2F3N5O5S/c1-38(36,37)30-17(15-4-2-3-5-16(15)24)10-28-19(34)12-32-21(35)31(11-18(33)22(25,26)27)20(29-32)13-6-8-14(23)9-7-13/h2-9,17-18,30,33H,10-12H2,1H3,(H,28,34)/t17?,18-/m0/s1
InChIKeyQDNRLEGWYUOYCH-ZVAWYAOSSA-N
XLogP2.35
TPSA135.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide 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-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide (CID 56848554) is N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide is CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
The InChIKey is QDNRLEGWYUOYCH-ZVAWYAOSSA-N. The full InChI is InChI=1S/C22H22Cl2F3N5O5S/c1-38(36,37)30-17(15-4-2-3-5-16(15)24)10-28-19(34)12-32-21(35)31(11-18(33)22(25,26)27)20(29-32)13-6-8-14(23)9-7-13/h2-9,17-18,30,33H,10-12H2,1H3,(H,28,34)/t17?,18-/m0/s1.
What are the key properties of N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide has a molecular weight of 596.42 g/mol, XLogP of 2.35, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 56848554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).