(2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid

C20H19NO5S — CID 142102667

IUPAC(2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid
SMILESCC[C@H](C(=O)O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H19NO5S/c1-2-17(20(23)24)18-11-13-5-3-4-6-14(13)12-19(18)21-27(25,26)16-9-7-15(22)8-10-16/h3-12,17,21-22H,2H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyGRMGEAKAAMDLHB-KRWDZBQOSA-N
MW385.44 g/mol
LogP3.92
Rot. Bonds6

About (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid

(2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid (PubChem CID 142102667) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid
PubChem CID142102667
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name(2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid
SMILESCC[C@H](C(=O)O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H19NO5S/c1-2-17(20(23)24)18-11-13-5-3-4-6-14(13)12-19(18)21-27(25,26)16-9-7-15(22)8-10-16/h3-12,17,21-22H,2H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyGRMGEAKAAMDLHB-KRWDZBQOSA-N
XLogP3.92
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid
CID 155531206
2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
4-hydroxy-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294835
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
2-naphthalen-2-ylbutanoic acid
CID 27266
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
CID 141071550
N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 2439926
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 25065487
2-(benzenesulfonamido)-5-(2-methylbutyl)benzoic acid
CID 10337751
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid?
The IUPAC name of (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid (CID 142102667) is (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid?
The canonical SMILES for (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid is CC[C@H](C(=O)O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid?
The InChIKey is GRMGEAKAAMDLHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-2-17(20(23)24)18-11-13-5-3-4-6-14(13)12-19(18)21-27(25,26)16-9-7-15(22)8-10-16/h3-12,17,21-22H,2H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid?
(2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid has a molecular weight of 385.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid is sourced from PubChem (CID 142102667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).