N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

C17H17Cl3N2O3S — CID 132670639

IUPACN-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H17Cl3N2O3S/c1-10-13(19)5-4-6-15(10)21-17(23)11(2)22(26(3,24)25)16-9-12(18)7-8-14(16)20/h4-9,11H,1-3H3,(H,21,23)
InChIKeyAVSBUKNHYTXSMX-UHFFFAOYSA-N
MW435.76 g/mol
LogP4.75
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (PubChem CID 132670639) has the molecular formula C17H17Cl3N2O3S and a molecular weight of 435.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
PubChem CID132670639
Molecular FormulaC17H17Cl3N2O3S
Molecular Weight435.76 g/mol
Exact Mass434.00
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H17Cl3N2O3S/c1-10-13(19)5-4-6-15(10)21-17(23)11(2)22(26(3,24)25)16-9-12(18)7-8-14(16)20/h4-9,11H,1-3H3,(H,21,23)
InChIKeyAVSBUKNHYTXSMX-UHFFFAOYSA-N
XLogP4.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 124561299
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 94013354
(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 42554746
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124
N-(3-chloro-2-methylphenyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132660099
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 6464225
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-chloro-2-methylphenyl)butanamide
CID 132673434
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 124561236

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (CID 132670639) is N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The InChIKey is AVSBUKNHYTXSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S/c1-10-13(19)5-4-6-15(10)21-17(23)11(2)22(26(3,24)25)16-9-12(18)7-8-14(16)20/h4-9,11H,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide has a molecular weight of 435.76 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132670639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).