(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid

C16H15Cl2NO4S — CID 9267903

IUPAC(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-10-2-4-11(5-3-10)15(9-16(20)21)19-24(22,23)14-7-12(17)6-13(18)8-14/h2-8,15,19H,9H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyWHWUFVBPQKRUQD-HNNXBMFYSA-N
MW388.27 g/mol
LogP3.80
Rot. Bonds6

About (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid

(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid (PubChem CID 9267903) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid
PubChem CID9267903
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-10-2-4-11(5-3-10)15(9-16(20)21)19-24(22,23)14-7-12(17)6-13(18)8-14/h2-8,15,19H,9H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyWHWUFVBPQKRUQD-HNNXBMFYSA-N
XLogP3.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
3-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 651622
3-phenyl-3-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 23002624
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 1271809
3-(3,5-dichlorophenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430464
S-(4-chlorophenyl) (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanethioate
CID 16731789
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid?
The IUPAC name of (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid (CID 9267903) is (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid is Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid?
The InChIKey is WHWUFVBPQKRUQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-10-2-4-11(5-3-10)15(9-16(20)21)19-24(22,23)14-7-12(17)6-13(18)8-14/h2-8,15,19H,9H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid?
(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid has a molecular weight of 388.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 9267903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).