(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide

C17H18BrClN2O3S — CID 55943594

IUPAC(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H18BrClN2O3S/c1-12(20-25(23,24)15-9-7-14(19)8-10-15)17(22)21(2)11-13-5-3-4-6-16(13)18/h3-10,12,20H,11H2,1-2H3/t12-/m0/s1
InChIKeyYZQLWYXALGKRPS-LBPRGKRZSA-N
MW445.77 g/mol
LogP3.43
Rot. Bonds6

About (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide

(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 55943594) has the molecular formula C17H18BrClN2O3S and a molecular weight of 445.77 g/mol. Its IUPAC name is (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID55943594
Molecular FormulaC17H18BrClN2O3S
Molecular Weight445.77 g/mol
Exact Mass443.99
IUPAC Name(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H18BrClN2O3S/c1-12(20-25(23,24)15-9-7-14(19)8-10-15)17(22)21(2)11-13-5-3-4-6-16(13)18/h3-10,12,20H,11H2,1-2H3/t12-/m0/s1
InChIKeyYZQLWYXALGKRPS-LBPRGKRZSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 56536513
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200404
N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 112771116
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide (CID 55943594) is (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is YZQLWYXALGKRPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18BrClN2O3S/c1-12(20-25(23,24)15-9-7-14(19)8-10-15)17(22)21(2)11-13-5-3-4-6-16(13)18/h3-10,12,20H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 445.77 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 55943594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).