2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide

C19H21ClFN3O5S — CID 55956277

IUPAC2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C19H21ClFN3O5S/c1-3-30(27,28)24-16-7-5-13(11-17(16)29-2)23-18(25)8-9-22-19(26)14-6-4-12(21)10-15(14)20/h4-7,10-11,24H,3,8-9H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXIHMNOVFZAZYEE-UHFFFAOYSA-N
MW457.91 g/mol
LogP3.01
Rot. Bonds9

About 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 55956277) has the molecular formula C19H21ClFN3O5S and a molecular weight of 457.91 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
PubChem CID55956277
Molecular FormulaC19H21ClFN3O5S
Molecular Weight457.91 g/mol
Exact Mass457.09
IUPAC Name2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C19H21ClFN3O5S/c1-3-30(27,28)24-16-7-5-13(11-17(16)29-2)23-18(25)8-9-22-19(26)14-6-4-12(21)10-15(14)20/h4-7,10-11,24H,3,8-9H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXIHMNOVFZAZYEE-UHFFFAOYSA-N
XLogP3.01
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55760803
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55759108
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(3-fluorophenyl)acetamide
CID 55947951
2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55792107
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947
2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275
2-chloro-N-[3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 51955720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide (CID 55956277) is 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is XIHMNOVFZAZYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O5S/c1-3-30(27,28)24-16-7-5-13(11-17(16)29-2)23-18(25)8-9-22-19(26)14-6-4-12(21)10-15(14)20/h4-7,10-11,24H,3,8-9H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 457.91 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 55956277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).