(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide

C16H16ClIN2O3S — CID 1289518

IUPAC(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClIN2O3S/c1-11(16(21)19-14-7-5-13(18)6-8-14)20(24(2,22)23)15-9-3-12(17)4-10-15/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyULDVVODMTPXZHY-LLVKDONJSA-N
MW478.74 g/mol
LogP3.74
Rot. Bonds5

About (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide (PubChem CID 1289518) has the molecular formula C16H16ClIN2O3S and a molecular weight of 478.74 g/mol. Its IUPAC name is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
PubChem CID1289518
Molecular FormulaC16H16ClIN2O3S
Molecular Weight478.74 g/mol
Exact Mass477.96
IUPAC Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClIN2O3S/c1-11(16(21)19-14-7-5-13(18)6-8-14)20(24(2,22)23)15-9-3-12(17)4-10-15/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyULDVVODMTPXZHY-LLVKDONJSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2223843
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 2975660
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 5175766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide (CID 1289518) is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide is C[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide?
The InChIKey is ULDVVODMTPXZHY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClIN2O3S/c1-11(16(21)19-14-7-5-13(18)6-8-14)20(24(2,22)23)15-9-3-12(17)4-10-15/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide?
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide has a molecular weight of 478.74 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 1289518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).