(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

C17H17Cl3N2O3S — CID 99130811

IUPAC(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1Cl)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H17Cl3N2O3S/c1-11(17(23)21-10-12-5-3-4-6-14(12)19)22(26(2,24)25)16-9-13(18)7-8-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyCYBXQRWJFCMXGR-LLVKDONJSA-N
MW435.76 g/mol
LogP4.12
Rot. Bonds6

About (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (PubChem CID 99130811) has the molecular formula C17H17Cl3N2O3S and a molecular weight of 435.76 g/mol. Its IUPAC name is (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
PubChem CID99130811
Molecular FormulaC17H17Cl3N2O3S
Molecular Weight435.76 g/mol
Exact Mass434.00
IUPAC Name(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1Cl)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H17Cl3N2O3S/c1-11(17(23)21-10-12-5-3-4-6-14(12)19)22(26(2,24)25)16-9-13(18)7-8-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyCYBXQRWJFCMXGR-LLVKDONJSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92675165
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 53281220
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]butanamide
CID 132668695
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 132668645
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823143
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (CID 99130811) is (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is C[C@H](C(=O)NCc1ccccc1Cl)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The InChIKey is CYBXQRWJFCMXGR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S/c1-11(17(23)21-10-12-5-3-4-6-14(12)19)22(26(2,24)25)16-9-13(18)7-8-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide has a molecular weight of 435.76 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 99130811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).