[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid

C17H22NO6PS — CID 6540261

IUPAC[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)cc1
InChIInChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyBZVYQWLRCHLAGK-KRWDZBQOSA-N
MW399.41 g/mol
LogP2.80
Rot. Bonds7

About [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid

[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid (PubChem CID 6540261) has the molecular formula C17H22NO6PS and a molecular weight of 399.41 g/mol. Its IUPAC name is [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid.

Molecular Properties

Compound Name[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid
PubChem CID6540261
Molecular FormulaC17H22NO6PS
Molecular Weight399.41 g/mol
Exact Mass399.09
IUPAC Name[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)cc1
InChIInChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyBZVYQWLRCHLAGK-KRWDZBQOSA-N
XLogP2.80
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-1-[[4-(5-methylthiophen-2-yl)phenyl]sulfonylamino]propyl]phosphonic acid
CID 127029508
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide
CID 122212592
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 2104038
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
[[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid
CID 118395397

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid?
The IUPAC name of [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid (CID 6540261) is [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid.
What is the SMILES notation for [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid?
The canonical SMILES for [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid is COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)cc1.
What is the InChIKey of [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid?
The InChIKey is BZVYQWLRCHLAGK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1.
What are the key properties of [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid?
[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid has a molecular weight of 399.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid is sourced from PubChem (CID 6540261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).