N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide

C19H20N2O5S — CID 71852824

IUPACN-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCC(CC(O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C19H20N2O5S/c1-12(10-17(22)13-6-4-3-5-7-13)20-27(25,26)14-8-9-15-16(11-14)19(24)21(2)18(15)23/h3-9,11-12,17,20,22H,10H2,1-2H3
InChIKeyXKDYPFIMRCXQNC-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.70
Rot. Bonds6

About N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide

N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 71852824) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide
PubChem CID71852824
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCC(CC(O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C19H20N2O5S/c1-12(10-17(22)13-6-4-3-5-7-13)20-27(25,26)14-8-9-15-16(11-14)19(24)21(2)18(15)23/h3-9,11-12,17,20,22H,10H2,1-2H3
InChIKeyXKDYPFIMRCXQNC-UHFFFAOYSA-N
XLogP1.70
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 51702634
N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
4-methyl-2-[[(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 120660441
N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
CID 50760008
N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120584972
2-methyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,3-dioxoisoindole-5-sulfonamide
CID 96534283
2-methyl-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-sulfonamide
CID 119965032
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 51702772
(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
CID 23257276
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
CID 94069346
3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide
CID 97241463

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide (CID 71852824) is N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide is CC(CC(O)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is XKDYPFIMRCXQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12(10-17(22)13-6-4-3-5-7-13)20-27(25,26)14-8-9-15-16(11-14)19(24)21(2)18(15)23/h3-9,11-12,17,20,22H,10H2,1-2H3.
What are the key properties of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 71852824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).