(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide

C16H16BrClN2O3S — CID 1265285

IUPAC(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16BrClN2O3S/c1-11(16(21)19-14-5-3-4-12(17)10-14)20(24(2,22)23)15-8-6-13(18)7-9-15/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyNNQIZSYISBTDJN-LLVKDONJSA-N
MW431.74 g/mol
LogP3.90
Rot. Bonds5

About (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide

(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 1265285) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
PubChem CID1265285
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16BrClN2O3S/c1-11(16(21)19-14-5-3-4-12(17)10-14)20(24(2,22)23)15-8-6-13(18)7-9-15/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyNNQIZSYISBTDJN-LLVKDONJSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 42554746
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126415837
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 124554196
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
CID 1289518
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 2226509
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1317717

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide (CID 1265285) is (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide is C[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is NNQIZSYISBTDJN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-11(16(21)19-14-5-3-4-12(17)10-14)20(24(2,22)23)15-8-6-13(18)7-9-15/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 431.74 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 1265285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).