(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid

C19H16ClNO4S — CID 2431733

IUPAC(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO4S/c20-17-8-4-3-7-16(17)18(12-19(22)23)21-26(24,25)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18,21H,12H2,(H,22,23)/t18-/m0/s1
InChIKeyMZXWKBGUELEIRF-SFHVURJKSA-N
MW389.86 g/mol
LogP3.99
Rot. Bonds6

About (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid

(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid (PubChem CID 2431733) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
PubChem CID2431733
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO4S/c20-17-8-4-3-7-16(17)18(12-19(22)23)21-26(24,25)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18,21H,12H2,(H,22,23)/t18-/m0/s1
InChIKeyMZXWKBGUELEIRF-SFHVURJKSA-N
XLogP3.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-(2-chlorophenyl)propanoic acid
CID 41259141
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 4663322
(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
CID 54460606
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906485
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
methyl 3-(2-chlorophenyl)-3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]propanoate
CID 56586996
propan-2-yl 3-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanoate
CID 55434667
3-phenyl-3-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 23002624
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid?
The IUPAC name of (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid (CID 2431733) is (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid is O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid?
The InChIKey is MZXWKBGUELEIRF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c20-17-8-4-3-7-16(17)18(12-19(22)23)21-26(24,25)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18,21H,12H2,(H,22,23)/t18-/m0/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid?
(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid has a molecular weight of 389.86 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 2431733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).