(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

C16H15BrCl2N2O3S — CID 42554746

IUPAC(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H15BrCl2N2O3S/c1-10(16(22)20-13-5-3-4-11(17)8-13)21(25(2,23)24)15-9-12(18)6-7-14(15)19/h3-10H,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyQXIMUFONPSPJIO-JTQLQIEISA-N
MW466.18 g/mol
LogP4.55
Rot. Bonds5

About (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (PubChem CID 42554746) has the molecular formula C16H15BrCl2N2O3S and a molecular weight of 466.18 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
PubChem CID42554746
Molecular FormulaC16H15BrCl2N2O3S
Molecular Weight466.18 g/mol
Exact Mass463.94
IUPAC Name(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H15BrCl2N2O3S/c1-10(16(22)20-13-5-3-4-11(17)8-13)21(25(2,23)24)15-9-12(18)6-7-14(15)19/h3-10H,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyQXIMUFONPSPJIO-JTQLQIEISA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 1265285
2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 6464225
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 124561236
N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 132670639
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 124561299
ethyl 2-chloro-5-[[(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 93486799
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100503371
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (CID 42554746) is (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The InChIKey is QXIMUFONPSPJIO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15BrCl2N2O3S/c1-10(16(22)20-13-5-3-4-11(17)8-13)21(25(2,23)24)15-9-12(18)6-7-14(15)19/h3-10H,1-2H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide has a molecular weight of 466.18 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 42554746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).