2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide

C17H17ClF2N2O4S — CID 43872761

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C17H17ClF2N2O4S/c1-3-26-16-7-5-12(9-13(16)18)27(24,25)22-10(2)17(23)21-11-4-6-14(19)15(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyYIYOLRANUUHXAV-UHFFFAOYSA-N
MW418.85 g/mol
LogP3.32
Rot. Bonds7

About 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide

2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide (PubChem CID 43872761) has the molecular formula C17H17ClF2N2O4S and a molecular weight of 418.85 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
PubChem CID43872761
Molecular FormulaC17H17ClF2N2O4S
Molecular Weight418.85 g/mol
Exact Mass418.06
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C17H17ClF2N2O4S/c1-3-26-16-7-5-12(9-13(16)18)27(24,25)22-10(2)17(23)21-11-4-6-14(19)15(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyYIYOLRANUUHXAV-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.85
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide 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

(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28549425
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 132687249
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549474
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226
N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890368
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
CID 30166351
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 28549435

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide (CID 43872761) is 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide is CCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is YIYOLRANUUHXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O4S/c1-3-26-16-7-5-12(9-13(16)18)27(24,25)22-10(2)17(23)21-11-4-6-14(19)15(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 418.85 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 43872761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).