(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C17H18ClFN2O3S — CID 984233

IUPAC(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-10-4-5-11(2)16(8-10)25(23,24)21-12(3)17(22)20-13-6-7-15(19)14(18)9-13/h4-9,12,21H,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyHLBKNHDRCIWPEF-GFCCVEGCSA-N
MW384.86 g/mol
LogP3.40
Rot. Bonds5

About (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide

(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 984233) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID984233
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-10-4-5-11(2)16(8-10)25(23,24)21-12(3)17(22)20-13-6-7-15(19)14(18)9-13/h4-9,12,21H,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyHLBKNHDRCIWPEF-GFCCVEGCSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7376444
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
(2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 984226
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 32996069
N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126412221
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
CID 126396716

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 984233) is (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is HLBKNHDRCIWPEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-10-4-5-11(2)16(8-10)25(23,24)21-12(3)17(22)20-13-6-7-15(19)14(18)9-13/h4-9,12,21H,1-3H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 384.86 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 984233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).